CS-0542714
(3S,8R,9S,10R,13S,14S)-17-cyano-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Manufacturer: ChemScene
CAS Number: 19590-22-8
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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
C₂₂H₂₉NO₂
Molecular Weight
339.47
Synonyms
17-Cyano-5,16-androstadien-3beta-ol-3-acetate
SMILES
CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C#N)C)C
Tpsa
50.09
Logp
4.94078
H Acceptors
3
H Donors
0
Rotatable Bonds
1
SAFETY INFORMATION
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: C₂₂H₂₉NO₂
Molecular Weight: 339.47
Synonyms: 17-Cyano-5,16-androstadien-3beta-ol-3-acetate
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C#N)C)C
Tpsa: 50.09
Logp: 4.94078
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₉NO₂
Molecular Weight:
339.47
Synonyms:
17-Cyano-5,16-androstadien-3beta-ol-3-acetate
SMILES:
CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C#N)C)C
Tpsa:
50.09
Logp:
4.94078
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₅NO₅
Molecular Weight: 299.36
Synonyms: Racemic-(4aS,6S,7aS)-4-tert-butyl 6-ethyl hexahydrocyclopenta[b][1,4]oxazine-4,6(4aH)-dicarboxylate(WX110663)
SMILES: CCOC(=O)[C@H]1C[C@H]2[C@H](C1)OCCN2C(=O)OC(C)(C)C
Tpsa: 65.07
Logp: 1.964
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₅NO₅
Molecular Weight:
299.36
Synonyms:
Racemic-(4aS,6S,7aS)-4-tert-butyl 6-ethyl hexahydrocyclopenta[b][1,4]oxazine-4,6(4aH)-dicarboxylate(WX110663)
SMILES:
CCOC(=O)[C@H]1C[C@H]2[C@H](C1)OCCN2C(=O)OC(C)(C)C
Tpsa:
65.07
Logp:
1.964
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₆O₄Si
Molecular Weight: 286.44
Synonyms: 2H-Cyclopenta[b]furan-2-one,hexahydro-4-(hydroxymethyl)-5-[(triethylsilyl)oxy]-,(3aR,4S,5R,6aS)-
SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@H]2[C@@H]([C@H]1CO)CC(=O)O2
Tpsa: 55.76
Logp: 2.3207
H Acceptors: 4
H Donors: 1
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:
C₁₄H₂₆O₄Si
Molecular Weight:
286.44
Synonyms:
2H-Cyclopenta[b]furan-2-one,hexahydro-4-(hydroxymethyl)-5-[(triethylsilyl)oxy]-,(3aR,4S,5R,6aS)-
SMILES:
CC[Si](CC)(CC)O[C@@H]1C[C@H]2[C@@H]([C@H]1CO)CC(=O)O2
Tpsa:
55.76
Logp:
2.3207
H Acceptors:
4
H Donors:
1
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: C₁₄H₁₃NO₅
Molecular Weight: 275.26
Synonyms: None
SMILES: COC1=CC=C(C=C1)C2=NO[C@H]3C2C(=O)[C@@H]4OCC3O4
Tpsa: 66.35
Logp: 0.7385
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃NO₅
Molecular Weight:
275.26
Synonyms:
None
SMILES:
COC1=CC=C(C=C1)C2=NO[C@H]3C2C(=O)[C@@H]4OCC3O4
Tpsa:
66.35
Logp:
0.7385
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
2