adenanthin
TL;DR: adenanthin (CAS 111917-59-0) is a chemical compound with molecular formula C26H34O9 and molecular weight 490.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
Also Known As: adenanthin, B0005-160803, [(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.0^{1,10.0^{4,9]hexadecanyl] acetate, [(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
| Molecular Formula | C26H34O9 |
|---|---|
| Molecular Weight | 490.22 g/mol |
| LogP | 1.929 |
| Topological Polar Surface Area | 133.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 490.22028 |
| Heavy Atoms | 35 |
| Complexity | 1027.8398 |
Chemical Identifiers
| CAS Number | 111917-59-0 |
|---|---|
| SMILES | CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(=O)C3OC(=O)C)(C)C)O)OC(=O)C)C)C(=O)C2=C |
Product Overview
adenanthin (CAS 111917-59-0), with molecular formula C26H34O9 and molecular weight 490.22 g/mol. IUPAC: (2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate.
Chemical Property Profile of adenanthin
Property Insights of adenanthin
The XLogP value of 1.929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for adenanthin. The TPSA of 133.27 Ų falls within the moderate polarity range, balancing permeability and solubility for adenanthin. Following Lipinski's Rule of Five, adenanthin has 1 hydrogen bond donor(s) and 9 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 adenanthin?
The CAS number of adenanthin is 111917-59-0.
What is the molecular formula of adenanthin?
The molecular formula of adenanthin is C26H34O9.
What is the molecular weight of adenanthin?
The molecular weight of adenanthin is 490.22 g/mol.
Where can I buy adenanthin?
You can request a quote for adenanthin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for adenanthin?
Yes, KEHONG BIO provides custom synthesis services for adenanthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.