18-Acetoxyaphidicolin
TL;DR: 18-Acetoxyaphidicolin (CAS 82026-03-7) is a chemical compound with molecular formula C22H36O5 and molecular weight 380.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyl-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
Also Known As: 18-Acetoxyaphidicolin, APHIDICOLIN, 18-ACETOXY, [3,9-Dihydroxy-9-(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalen-4-yl]methyl acetate
| Molecular Formula | C22H36O5 |
|---|---|
| Molecular Weight | 380.26 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.2563 |
| Heavy Atoms | 27 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 82026-03-7 |
|---|---|
| SMILES | CC(=O)OCC1(C2CCC3CC4CC3(C2(CCC1O)C)CCC4(CO)O)C |
| InChIKey | SSEWIUPYEWEJEH-UHFFFAOYSA-N |
Product Overview
18-Acetoxyaphidicolin (CAS 82026-03-7), with molecular formula C22H36O5 and molecular weight 380.26 g/mol. IUPAC: [5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyl-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate.
Chemical Property Profile of 18-Acetoxyaphidicolin
Property Insights of 18-Acetoxyaphidicolin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 18-Acetoxyaphidicolin. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 18-Acetoxyaphidicolin. Following Lipinski's Rule of Five, 18-Acetoxyaphidicolin has 3 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 18-Acetoxyaphidicolin?
The CAS number of 18-Acetoxyaphidicolin is 82026-03-7.
What is the molecular formula of 18-Acetoxyaphidicolin?
The molecular formula of 18-Acetoxyaphidicolin is C22H36O5.
What is the molecular weight of 18-Acetoxyaphidicolin?
The molecular weight of 18-Acetoxyaphidicolin is 380.26 g/mol.
Where can I buy 18-Acetoxyaphidicolin?
You can request a quote for 18-Acetoxyaphidicolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-Acetoxyaphidicolin?
Yes, KEHONG BIO provides custom synthesis services for 18-Acetoxyaphidicolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.