CS-0127577
(3S,8S,9S,10R,13R,14S,17R,E)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-7-(2-tosylhydrazono)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Manufacturer: ChemScene
CAS Number: 54201-67-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₆H₅₄N₂O₄S
Molecular Weight
610.89
Synonyms
7-p-Toluenesulfonylhydrazide Cholesterol 3-Acetate
SMILES
C[C@@H]([C@]1(CC[C@]2([C@@]3(/C(C=C4C[C@H](CC[C@@]4([C@]3(CC[C@]12C)[H])C)OC(C)=O)=N\NS(C5=CC=C(C=C5)C)(=O)=O)[H])[H])[H])CCCC(C)C
Tpsa
84.83
Logp
8.21232
H Acceptors
5
H Donors
1
Rotatable Bonds
9
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₆H₅₄N₂O₄S
Molecular Weight: 610.89
Synonyms: 7-p-Toluenesulfonylhydrazide Cholesterol 3-Acetate
SMILES: C[C@@H]([C@]1(CC[C@]2([C@@]3(/C(C=C4C[C@H](CC[C@@]4([C@]3(CC[C@]12C)[H])C)OC(C)=O)=N\NS(C5=CC=C(C=C5)C)(=O)=O)[H])[H])[H])CCCC(C)C
Tpsa: 84.83
Logp: 8.21232
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₅₄N₂O₄S
Molecular Weight:
610.89
Synonyms:
7-p-Toluenesulfonylhydrazide Cholesterol 3-Acetate
SMILES:
C[C@@H]([C@]1(CC[C@]2([C@@]3(/C(C=C4C[C@H](CC[C@@]4([C@]3(CC[C@]12C)[H])C)OC(C)=O)=N\NS(C5=CC=C(C=C5)C)(=O)=O)[H])[H])[H])CCCC(C)C
Tpsa:
84.83
Logp:
8.21232
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₂H₄₃N₅O₉S
Molecular Weight: 793.88
Synonyms: Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'-[1H]pyrido[3,4-b]indole]-14-carbonitrile, 5-(acetyloxy)-2',3',4',6,6a,7,9',13,14,16-decahydro-8-hydroxy-6',9-dimethoxy-4,10,23-trimethyl-19-oxo-, (1'R,6R,6aR,7R,13S,14R,16R)- (9CI)
SMILES: COC1=CC(C(CCN[C@]2(C(OC3)=O)CS[C@@]4([H])[C@]5([H])N([C@@H](C#N)[C@@H]6CC(C=C(C)C(OC)=C7O)=C7[C@H]5N6C)[C@]3([H])C8=C4C(OC(C)=O)=C(C)C9=C8OCO9)=C2N%10)=C%10C=C1
Tpsa: 167.84
Logp: 4.76272
H Acceptors: 14
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₄₃N₅O₉S
Molecular Weight:
793.88
Synonyms:
Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'-[1H]pyrido[3,4-b]indole]-14-carbonitrile, 5-(acetyloxy)-2',3',4',6,6a,7,9',13,14,16-decahydro-8-hydroxy-6',9-dimethoxy-4,10,23-trimethyl-19-oxo-, (1'R,6R,6aR,7R,13S,14R,16R)- (9CI)
SMILES:
COC1=CC(C(CCN[C@]2(C(OC3)=O)CS[C@@]4([H])[C@]5([H])N([C@@H](C#N)[C@@H]6CC(C=C(C)C(OC)=C7O)=C7[C@H]5N6C)[C@]3([H])C8=C4C(OC(C)=O)=C(C)C9=C8OCO9)=C2N%10)=C%10C=C1
Tpsa:
167.84
Logp:
4.76272
H Acceptors:
14
H Donors:
3
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₄₇N₅O₁₀S
Molecular Weight: 837.94
Synonyms: None
SMILES: COC1=CC(C(CCN[C@]2(C(OC3)=O)CS[C@@]4([H])[C@]5([H])N([C@@H](C#N)[C@@H]6CC(C=C(C)C(OC)=C7OCOC)=C7[C@H]5N6C)[C@]3([H])C8=C4C(OC(C)=O)=C(C)C9=C8OCO9)=C2N%10)=C%10C=C1
Tpsa: 166.07
Logp: 5.03982
H Acceptors: 15
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₄₇N₅O₁₀S
Molecular Weight:
837.94
Synonyms:
None
SMILES:
COC1=CC(C(CCN[C@]2(C(OC3)=O)CS[C@@]4([H])[C@]5([H])N([C@@H](C#N)[C@@H]6CC(C=C(C)C(OC)=C7OCOC)=C7[C@H]5N6C)[C@]3([H])C8=C4C(OC(C)=O)=C(C)C9=C8OCO9)=C2N%10)=C%10C=C1
Tpsa:
166.07
Logp:
5.03982
H Acceptors:
15
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: MFCD20485796
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₈O
Molecular Weight: 96.13
Synonyms: 1-ethynylcyclobutanol
SMILES: OC1(C#C)CCC1
Tpsa: 20.23
Logp: 0.5346
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD20485796
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₈O
Molecular Weight:
96.13
Synonyms:
1-ethynylcyclobutanol
SMILES:
OC1(C#C)CCC1
Tpsa:
20.23
Logp:
0.5346
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0