3-Episarmentogenin
TL;DR: 3-Episarmentogenin (CAS 4966-40-9) is a chemical compound with molecular formula C23H34O5 and molecular weight 390.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3R,5R,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: 3-Episarmentogenin, KST-1A5042, (3, A,5, A,8xi,9xi,11
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.24063 |
| Heavy Atoms | 28 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 4966-40-9 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CCC3C2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O |
| InChIKey | FLMSQRUGSHIKCT-VUTWUDGGSA-N |
Product Overview
3-Episarmentogenin (CAS 4966-40-9), with molecular formula C23H34O5 and molecular weight 390.24 g/mol. IUPAC: 3-[(3R,5R,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 3-Episarmentogenin
Property Insights of 3-Episarmentogenin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Episarmentogenin. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Episarmentogenin. Following Lipinski's Rule of Five, 3-Episarmentogenin has 3 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 3-Episarmentogenin?
The CAS number of 3-Episarmentogenin is 4966-40-9.
What is the molecular formula of 3-Episarmentogenin?
The molecular formula of 3-Episarmentogenin is C23H34O5.
What is the molecular weight of 3-Episarmentogenin?
The molecular weight of 3-Episarmentogenin is 390.24 g/mol.
Where can I buy 3-Episarmentogenin?
You can request a quote for 3-Episarmentogenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Episarmentogenin?
Yes, KEHONG BIO provides custom synthesis services for 3-Episarmentogenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.