BETAENONE A
TL;DR: BETAENONE A (CAS 85269-22-3) is a chemical compound with molecular formula C21H34O5 and molecular weight 366.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10Z)-12-butan-2-yl-1,4,11-trihydroxy-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.02,7]dodecan-9-one
Also Known As: BETAENONE A
| Molecular Formula | C21H34O5 |
|---|---|
| Molecular Weight | 366.24 g/mol |
| LogP | 2.5886 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.24063 |
| Heavy Atoms | 26 |
| Complexity | 650.78687 |
Chemical Identifiers
| CAS Number | 85269-22-3 |
|---|---|
| SMILES | CCC(C)C1C2(C3C(CC(CC3C(C1(C)O)(/C(=C/O)/C2=O)O)(C)O)C)C |
Product Overview
BETAENONE A (CAS 85269-22-3), with molecular formula C21H34O5 and molecular weight 366.24 g/mol. IUPAC: (10Z)-12-butan-2-yl-1,4,11-trihydroxy-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.02,7]dodecan-9-one.
Chemical Property Profile of BETAENONE A
Property Insights of BETAENONE A
The XLogP value of 2.5886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BETAENONE A. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BETAENONE A. Following Lipinski's Rule of Five, BETAENONE A has 4 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 BETAENONE A?
The CAS number of BETAENONE A is 85269-22-3.
What is the molecular formula of BETAENONE A?
The molecular formula of BETAENONE A is C21H34O5.
What is the molecular weight of BETAENONE A?
The molecular weight of BETAENONE A is 366.24 g/mol.
Where can I buy BETAENONE A?
You can request a quote for BETAENONE A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BETAENONE A?
Yes, KEHONG BIO provides custom synthesis services for BETAENONE A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.