Asterone
TL;DR: Asterone (CAS 438552-03-5) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,5S,6S,8S,10S,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Asterone, Asterosapogenin I, 3beta,6alpha-dihydroxy-5alpha-pregn-9(11)-en-20-one, 3,6-Dihydroxypregn-9(11)-en-20-one, 1-[(3S,5S,6S,8S,10S,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.24 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.23514 |
| Heavy Atoms | 24 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 438552-03-5 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C |
| InChIKey | KFNFTGFTYYZZRD-VYXAABIESA-N |
Product Overview
Asterone (CAS 438552-03-5), with molecular formula C21H32O3 and molecular weight 332.24 g/mol. IUPAC: 1-[(3S,5S,6S,8S,10S,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of Asterone
Property Insights of Asterone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asterone. With a topological polar surface area (TPSA) of 57.5 Ų, Asterone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Asterone has 2 hydrogen bond donor(s) and 3 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 Asterone?
The CAS number of Asterone is 438552-03-5.
What is the molecular formula of Asterone?
The molecular formula of Asterone is C21H32O3.
What is the molecular weight of Asterone?
The molecular weight of Asterone is 332.24 g/mol.
Where can I buy Asterone?
You can request a quote for Asterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asterone?
Yes, KEHONG BIO provides custom synthesis services for Asterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.