Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-
TL;DR: Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- (CAS 114967-87-2) is a chemical compound with molecular formula C24H34O5S and molecular weight 434.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[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]sulfanylpropanoic acid
Also Known As: 3-((3,20-Dioxo-17-hydroxypregn-4-en-21-yl)thio)propanoic acid, Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-, alpha-(17-alpha-Hydroxy-4-pregnene-3,20-dion-21-yl-thio)-3-propionic acid, 17, A-hydroxy-21-(2-carboxyethylthio)-4-pregnene-3,20-dione
| Molecular Formula | C24H34O5S |
|---|---|
| Molecular Weight | 434.21 g/mol |
| LogP | 4.0264 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.2127 |
| Heavy Atoms | 30 |
| Complexity | 790.4658 |
Chemical Identifiers
| CAS Number | 114967-87-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CCC3C2CC[C@]4(C3CC[C@@]4(C(=O)CSCCC(=O)O)O)C |
Product Overview
Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- (CAS 114967-87-2), with molecular formula C24H34O5S and molecular weight 434.21 g/mol. IUPAC: 3-[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]sulfanylpropanoic acid.
Chemical Property Profile of Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-
Property Insights of Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-
The XLogP value of 4.0264 indicates that Propanoic acid, 3-((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 Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-. Following Lipinski's Rule of Five, Propanoic acid, 3-((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 Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-?
The CAS number of Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- is 114967-87-2.
What is the molecular formula of Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-?
The molecular formula of Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- is C24H34O5S.
What is the molecular weight of Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-?
The molecular weight of Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- is 434.21 g/mol.
Where can I buy Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-?
You can request a quote for Propanoic acid, 3-((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 Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-((3,20-dioxo-17-hydroxypregn-4-en-21-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.