![7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione structure](/static/products/187/187110-83-4.png)
7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione
TL;DR: 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione (CAS 187110-83-4) is a chemical compound with molecular formula C27H35NO2S and molecular weight 437.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8S,9S,10R,13S,14S,17S)-17-acetyl-7-(4-aminophenyl)sulfanyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione, Pregn-4-ene-3,20-dione, 7-[(4-aminophenyl)thio]-, (7alpha)-, Pregn-4-ene-3,20-dione, 7-[(4-aminophenyl)thio]-, (7I+/-)-
| Molecular Formula | C27H35NO2S |
|---|---|
| Molecular Weight | 437.24 g/mol |
| LogP | 6.0765 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.23886 |
| Heavy Atoms | 31 |
| Complexity | 937.05975 |
Chemical Identifiers
| CAS Number | 187110-83-4 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)SC5=CC=C(C=C5)N)C |
Product Overview
7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione (CAS 187110-83-4), with molecular formula C27H35NO2S and molecular weight 437.24 g/mol. IUPAC: (7R,8S,9S,10R,13S,14S,17S)-17-acetyl-7-(4-aminophenyl)sulfanyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione
Property Insights of 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione
The XLogP value of 6.0765 indicates that 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione. Following Lipinski's Rule of Five, 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione?
The CAS number of 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione is 187110-83-4.
What is the molecular formula of 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione?
The molecular formula of 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione is C27H35NO2S.
What is the molecular weight of 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione?
The molecular weight of 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione is 437.24 g/mol.
Where can I buy 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione?
You can request a quote for 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 7alpha-[(4-Aminophenyl)sulfanyl]pregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.