Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-
TL;DR: Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- (CAS 114967-85-0) is a chemical compound with molecular formula C23H32O5S and molecular weight 420.20 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-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid
Also Known As: ((3,20-Dioxo-17-hydroxypregn-4-en-21-yl)thio)acetic acid, Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-, (17-alpha-Hydroxy-4-pregnene-3,20-dion-21-yl-21-thio)acetic acid, [(17-Hydroxy-3,20-dioxopregn-4-en-21-yl)sulfanyl]acetic acid, {[(8xi,9xi,14xi)-17-Hydroxy-3,20-dioxopregn-4-en-21-yl]sulfanyl}acetic acid
| Molecular Formula | C23H32O5S |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 3.6363 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.19705 |
| Heavy Atoms | 29 |
| Complexity | 775.22986 |
Chemical Identifiers
| CAS Number | 114967-85-0 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CCC3C2CC[C@]4(C3CC[C@@]4(C(=O)CSCC(=O)O)O)C |
Product Overview
Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- (CAS 114967-85-0), with molecular formula C23H32O5S and molecular weight 420.20 g/mol. IUPAC: 2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-
Property Insights of Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-
The XLogP value of 3.6363 indicates that Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-. Following Lipinski's Rule of Five, Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- has 2 hydrogen bond donor(s) and 5 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 Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-?
The CAS number of Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- is 114967-85-0.
What is the molecular formula of Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-?
The molecular formula of Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- is C23H32O5S.
What is the molecular weight of Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-?
The molecular weight of Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- is 420.20 g/mol.
Where can I buy Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-?
You can request a quote for Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.