坡那甾酮A
TL;DR: 坡那甾酮A (CAS 13408-56-5) is a chemical compound with molecular formula C27H44O6 and molecular weight 464.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
坡那甾酮A
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: Ponasterone A, 25-deoxyecdysterone, 25-Deoxycedysterone, ponasteron a, PONA
| Molecular Formula | C27H44O6 |
|---|---|
| Molecular Weight | 464.31 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.31378 |
| Heavy Atoms | 33 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 13408-56-5 |
|---|---|
| SMILES | CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O |
| InChIKey | PJYYBCXMCWDUAZ-JJJZTNILSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
坡那甾酮A (CAS 13408-56-5), with molecular formula C27H44O6 and molecular weight 464.31 g/mol. IUPAC: (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one.
Chemical Property Profile of 坡那甾酮A
Property Insights of 坡那甾酮A
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 坡那甾酮A. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 坡那甾酮A. Following Lipinski's Rule of Five, 坡那甾酮A has 5 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 坡那甾酮A?
The CAS number of 坡那甾酮A is 13408-56-5.
What is the molecular formula of 坡那甾酮A?
The molecular formula of 坡那甾酮A is C27H44O6.
What is the molecular weight of 坡那甾酮A?
The molecular weight of 坡那甾酮A is 464.31 g/mol.
Where can I buy 坡那甾酮A?
You can request a quote for 坡那甾酮A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 坡那甾酮A?
Yes, KEHONG BIO provides custom synthesis services for 坡那甾酮A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.