Pachygenin-3-acetate
TL;DR: Pachygenin-3-acetate (CAS 1561-99-5) is a chemical compound with molecular formula C25H32O6 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10S,13R,14S,17R)-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Pachygenin-3-acetate, Pachygenin 3-acetate, KST-1A1724, 3-Acetyl-delta4-anhydrostrophanthidin, 3-Acetyl-delta(sup 5)-anhydrostrophanthidin
| Molecular Formula | C25H32O6 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.21988 |
| Heavy Atoms | 31 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 1561-99-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC=C2C1)O)C5=CC(=O)OC5)C)C=O |
| InChIKey | YXVAJWQGXKVWEN-PNALVPCQSA-N |
Product Overview
Pachygenin-3-acetate (CAS 1561-99-5), with molecular formula C25H32O6 and molecular weight 428.22 g/mol. IUPAC: [(3S,8R,9S,10S,13R,14S,17R)-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of Pachygenin-3-acetate
Property Insights of Pachygenin-3-acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pachygenin-3-acetate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pachygenin-3-acetate. Following Lipinski's Rule of Five, Pachygenin-3-acetate has 1 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 Pachygenin-3-acetate?
The CAS number of Pachygenin-3-acetate is 1561-99-5.
What is the molecular formula of Pachygenin-3-acetate?
The molecular formula of Pachygenin-3-acetate is C25H32O6.
What is the molecular weight of Pachygenin-3-acetate?
The molecular weight of Pachygenin-3-acetate is 428.22 g/mol.
Where can I buy Pachygenin-3-acetate?
You can request a quote for Pachygenin-3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pachygenin-3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Pachygenin-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.