![[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid structure](/static/products/1142/114223-07-3.webp)
[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid
TL;DR: [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid (CAS 114223-07-3) is a chemical compound with molecular formula C23H30O6S and molecular weight 434.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid
Also Known As: ((17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio)acetic acid, [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid, (17-alpha-Hydroxy-4-pregnene-3,11,20-trione-21-yl-21-thio)acetic acid, Acetic acid, ((17-hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio)-, {[(8xi,9xi,14xi)-17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl]sulfanyl}acetic acid
| Molecular Formula | C23H30O6S |
|---|---|
| Molecular Weight | 434.18 g/mol |
| LogP | 2.8153 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1763 |
| Heavy Atoms | 30 |
| Complexity | 848.6314 |
Chemical Identifiers
| CAS Number | 114223-07-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CCC3C2C(=O)C[C@]4(C3CC[C@@]4(C(=O)CSCC(=O)O)O)C |
Product Overview
[(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid (CAS 114223-07-3), with molecular formula C23H30O6S and molecular weight 434.18 g/mol. IUPAC: 2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid
Property Insights of [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid
The XLogP value of 2.8153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid. The TPSA of 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid?
The CAS number of [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid is 114223-07-3.
What is the molecular formula of [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid?
The molecular formula of [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid is C23H30O6S.
What is the molecular weight of [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid?
The molecular weight of [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid is 434.18 g/mol.
Where can I buy [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid?
You can request a quote for [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.