3-Epiaphidicolin
TL;DR: 3-Epiaphidicolin (CAS 52645-92-8) is a chemical compound with molecular formula C20H34O4 and molecular weight 338.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5S,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol
Also Known As: 3-Epiaphidicolin, aphidicolin, APHIDICOLIN, 3-EPI-, (2S,5S,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol, CC12CCC(O)C(C)(CO)C2CCC3CC4CC13CCC4(O)CO
| Molecular Formula | C20H34O4 |
|---|---|
| Molecular Weight | 338.25 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.2457 |
| Heavy Atoms | 24 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 52645-92-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@H]3C24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O |
| InChIKey | NOFOAYPPHIUXJR-ZJBZKFICSA-N |
Product Overview
3-Epiaphidicolin (CAS 52645-92-8), with molecular formula C20H34O4 and molecular weight 338.25 g/mol. IUPAC: (2S,5S,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol.
Chemical Property Profile of 3-Epiaphidicolin
Property Insights of 3-Epiaphidicolin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Epiaphidicolin. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Epiaphidicolin. Following Lipinski's Rule of Five, 3-Epiaphidicolin has 4 hydrogen bond donor(s) and 4 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 3-Epiaphidicolin?
The CAS number of 3-Epiaphidicolin is 52645-92-8.
What is the molecular formula of 3-Epiaphidicolin?
The molecular formula of 3-Epiaphidicolin is C20H34O4.
What is the molecular weight of 3-Epiaphidicolin?
The molecular weight of 3-Epiaphidicolin is 338.25 g/mol.
Where can I buy 3-Epiaphidicolin?
You can request a quote for 3-Epiaphidicolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Epiaphidicolin?
Yes, KEHONG BIO provides custom synthesis services for 3-Epiaphidicolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.