RefChem:344859
TL;DR: RefChem:344859 (CAS 53866-28-7) is a chemical compound with molecular formula C27H36O6S and molecular weight 488.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (8R,9S,10R,13S,14S,17R)-7-acetylsulfanyl-10,13-dimethyl-2',3-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-3'-carboxylate
Also Known As: Ethyl hydrogen 7alpha-(acetylthio)-17alpha-hydroxy-3-oxopregn-4-ene-21,21-dicarboxylate gamma-lactone, ethyl(8r,9s,10r,13s,14s,17r)-7-(acetylsulfanyl)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-4'-carboxylate, 258-830-6, Ethyl (1R,3aS,3bR,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-5',7-dioxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-4'-carboxylate, ethyl (8R,9S,10R,13S,14S,17R)-7-acetylsulfanyl-10,13-dimethyl-2',3-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-3'-carboxylate
| Molecular Formula | C27H36O6S |
|---|---|
| Molecular Weight | 488.22 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.22327 |
| Heavy Atoms | 34 |
| Complexity | 972.0 |
Chemical Identifiers
| CAS Number | 53866-28-7 |
|---|---|
| SMILES | CCOC(=O)C1C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C(CC5=CC(=O)CC[C@]45C)SC(=O)C)C)OC1=O |
| InChIKey | KRLMIXGEJNGQOO-BZUSAFKGSA-N |
Product Overview
RefChem:344859 (CAS 53866-28-7), with molecular formula C27H36O6S and molecular weight 488.22 g/mol. IUPAC: ethyl (8R,9S,10R,13S,14S,17R)-7-acetylsulfanyl-10,13-dimethyl-2',3-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-3'-carboxylate.
Chemical Property Profile of RefChem:344859
Property Insights of RefChem:344859
The XLogP value of 3.3 indicates that RefChem:344859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:344859. Following Lipinski's Rule of Five, RefChem:344859 has 0 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:344859?
The CAS number of RefChem:344859 is 53866-28-7.
What is the molecular formula of RefChem:344859?
The molecular formula of RefChem:344859 is C27H36O6S.
What is the molecular weight of RefChem:344859?
The molecular weight of RefChem:344859 is 488.22 g/mol.
Where can I buy RefChem:344859?
You can request a quote for RefChem:344859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:344859?
Yes, KEHONG BIO provides custom synthesis services for RefChem:344859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.