RefChem:1075509
TL;DR: RefChem:1075509 (CAS 114967-89-4) 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.
methyl 2-[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]sulfanylacetate
Also Known As: Acetic acid, ((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)-, methyl ester, (11-beta)-, (11-beta)-((11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetic acid methyl ester, (11-beta,17-alpha-Dihydroxy-4-pregnene-3,20-dion-21-yl-21-thio)acetic acid methyl ester, methyl 2-[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]sulfanylacetate, RefChem:1075509
| Molecular Formula | C24H34O6S |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | 2.6955 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.2076 |
| Heavy Atoms | 31 |
| Complexity | 822.88715 |
Chemical Identifiers
| CAS Number | 114967-89-4 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)CSCC(=O)OC)O)C)O |
Product Overview
RefChem:1075509 (CAS 114967-89-4), with molecular formula C24H34O6S and molecular weight 450.21 g/mol. IUPAC: methyl 2-[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]sulfanylacetate.
Chemical Property Profile of RefChem:1075509
Property Insights of RefChem:1075509
The XLogP value of 2.6955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075509. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075509. Following Lipinski's Rule of Five, RefChem:1075509 has 2 hydrogen bond donor(s) and 7 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:1075509?
The CAS number of RefChem:1075509 is 114967-89-4.
What is the molecular formula of RefChem:1075509?
The molecular formula of RefChem:1075509 is C24H34O6S.
What is the molecular weight of RefChem:1075509?
The molecular weight of RefChem:1075509 is 450.21 g/mol.
Where can I buy RefChem:1075509?
You can request a quote for RefChem:1075509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075509?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.