丙利酮
TL;DR: 丙利酮 (CAS 49848-04-6) is a chemical compound with molecular formula C23H30O3 and molecular weight 354.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙利酮
(1'R,2'S,4'S,5R,10'R,11'S,14'S,18'S)-10',14'-dimethylspiro[oxolane-5,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-2,7'-dione
Also Known As: Prorenone, alpha-Prorenone, (1'R,2'S,4'S,5R,10'R,11'S,14'S,18'S)-10',14'-dimethylspiro[oxolane-5,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-2,7'-dione, 3'H-Cyclopropa(6,7)pregna-4,6-diene-21-carboxylic acid, 6,7-dihydro-17-hydroxy-3-oxo-, gamma-lactone, (6beta,7beta,17alpha)-, 3-(17beta-Hydroxy-6beta,7beta-methylene-3-oxo-4-androsten-17alpha-yl)propionic acid gamma-lactone
| Molecular Formula | C23H30O3 |
|---|---|
| Molecular Weight | 354.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 354.21948 |
| Heavy Atoms | 26 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 49848-04-6 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1[C@H]3C[C@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@]56CCC(=O)O6)C |
| InChIKey | RRHHMFQGHCFGMH-LAPLKBAYSA-N |
Product Overview
丙利酮 (CAS 49848-04-6), with molecular formula C23H30O3 and molecular weight 354.22 g/mol. IUPAC: (1'R,2'S,4'S,5R,10'R,11'S,14'S,18'S)-10',14'-dimethylspiro[oxolane-5,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-2,7'-dione.
Chemical Property Profile of 丙利酮
Property Insights of 丙利酮
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙利酮. With a topological polar surface area (TPSA) of 43.4 Ų, 丙利酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙利酮 has 0 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 丙利酮?
The CAS number of 丙利酮 is 49848-04-6.
What is the molecular formula of 丙利酮?
The molecular formula of 丙利酮 is C23H30O3.
What is the molecular weight of 丙利酮?
The molecular weight of 丙利酮 is 354.22 g/mol.
Where can I buy 丙利酮?
You can request a quote for 丙利酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙利酮?
Yes, KEHONG BIO provides custom synthesis services for 丙利酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.