RefChem:374778
TL;DR: RefChem:374778 (CAS 114967-88-3) is a chemical compound with molecular formula C24H34O6S and molecular weight 450.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-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: (11-beta)-3-((11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)propanoic acid, beta-(11-beta,17-alpha-Dihydroxy-4-pregnene-3,20-dion-21-yl-thio)propionic acid, Propanoic acid, 3-((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)-, (11-beta)-, 3-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-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, 3-[(11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl)sulfanyl]propanoic acid
| Molecular Formula | C24H34O6S |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | 2.9972 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.2076 |
| Heavy Atoms | 31 |
| Complexity | 822.88715 |
Chemical Identifiers
| CAS Number | 114967-88-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)CSCCC(=O)O)O)C)O |
Product Overview
RefChem:374778 (CAS 114967-88-3), with molecular formula C24H34O6S and molecular weight 450.21 g/mol. IUPAC: 3-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-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 RefChem:374778
Property Insights of RefChem:374778
The XLogP value of 2.9972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:374778. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:374778. Following Lipinski's Rule of Five, RefChem:374778 has 3 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 RefChem:374778?
The CAS number of RefChem:374778 is 114967-88-3.
What is the molecular formula of RefChem:374778?
The molecular formula of RefChem:374778 is C24H34O6S.
What is the molecular weight of RefChem:374778?
The molecular weight of RefChem:374778 is 450.21 g/mol.
Where can I buy RefChem:374778?
You can request a quote for RefChem:374778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:374778?
Yes, KEHONG BIO provides custom synthesis services for RefChem:374778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.