CS-1002509
Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-11-[[(4-methylphenyl)sulfonyl]oxy]-3-oxo-, 21,17-lactone, 7-methyl ester, (7α,11α,17α)-
Manufacturer: ChemScene
CAS Number: 2073041-47-9
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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
C₃₁H₃₈O₈S
Molecular Weight
570.69
Synonyms
None
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@H]3OS(=O)(=O)C5=CC=C(C)C=C5)[C@]6(CC4)OC(=O)CC6)[H])([C@H](C(OC)=O)CC1=CC(=O)CC2)[H])[H]
Tpsa
113.04
Logp
4.68562
H Acceptors
8
H Donors
0
Rotatable Bonds
4
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: C₃₁H₃₈O₈S
Molecular Weight: 570.69
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@H]3OS(=O)(=O)C5=CC=C(C)C=C5)[C@]6(CC4)OC(=O)CC6)[H])([C@H](C(OC)=O)CC1=CC(=O)CC2)[H])[H]
Tpsa: 113.04
Logp: 4.68562
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₃₈O₈S
Molecular Weight:
570.69
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@H]3OS(=O)(=O)C5=CC=C(C)C=C5)[C@]6(CC4)OC(=O)CC6)[H])([C@H](C(OC)=O)CC1=CC(=O)CC2)[H])[H]
Tpsa:
113.04
Logp:
4.68562
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₅H₅₂N₄O₈
Molecular Weight: 776.92
Synonyms: None
SMILES: C(C)[C@@]12[C@]3([C@@]45[C@]([C@@](C(OC)=O)([C@@H]1OC(C)=O)O[C@@]2(C=CN3CC4)[H])(N(C)C=6C5=CC(=C(OC)C6)[C@]7(C(OC)=O)C8=C(C=9C(N8)=CC=CC9)C[N@@]%10C[C@](C7)(C=C(CC)C%10)[H])[H])[H]
Tpsa: 122.87
Logp: 5.1176
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₅H₅₂N₄O₈
Molecular Weight:
776.92
Synonyms:
None
SMILES:
C(C)[C@@]12[C@]3([C@@]45[C@]([C@@](C(OC)=O)([C@@H]1OC(C)=O)O[C@@]2(C=CN3CC4)[H])(N(C)C=6C5=CC(=C(OC)C6)[C@]7(C(OC)=O)C8=C(C=9C(N8)=CC=CC9)C[N@@]%10C[C@](C7)(C=C(CC)C%10)[H])[H])[H]
Tpsa:
122.87
Logp:
5.1176
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₄N₂OS
Molecular Weight: 316.46
Synonyms: None
SMILES: OCCNCCNC=1C=CC=CC1SC2=CC=C(C=C2C)C
Tpsa: 44.29
Logp: 3.44844
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₄N₂OS
Molecular Weight:
316.46
Synonyms:
None
SMILES:
OCCNCCNC=1C=CC=CC1SC2=CC=C(C=C2C)C
Tpsa:
44.29
Logp:
3.44844
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₀O₇
Molecular Weight: 194.14
Synonyms: None
SMILES: C(O)(=O)C1(O)[C@@H](O)[C@H](O)[C@@H](O)CO1
Tpsa: 127.45
Logp: -3.1275
H Acceptors: 6
H Donors: 5
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:
C₆H₁₀O₇
Molecular Weight:
194.14
Synonyms:
None
SMILES:
C(O)(=O)C1(O)[C@@H](O)[C@H](O)[C@@H](O)CO1
Tpsa:
127.45
Logp:
-3.1275
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
1