3-Deoxyaphidicolin
TL;DR: 3-Deoxyaphidicolin (CAS 85483-00-7) is a chemical compound with molecular formula C20H34O3 and molecular weight 322.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
Also Known As: 3-Deoxyaphidicolin, (2S,6R,7R,10S,12R,13R)-6,13-BIS(HYDROXYMETHYL)-2,6-DIMETHYLTETRACYCLO[10.3.1.0(1),(1)?.0(2),?]HEXADECAN-13-OL
| Molecular Formula | C20H34O3 |
|---|---|
| Molecular Weight | 322.25 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.2508 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 85483-00-7 |
|---|---|
| SMILES | C[C@]1(CCC[C@]2([C@H]1CC[C@@H]3C24CC[C@@]([C@H](C3)C4)(CO)O)C)CO |
| InChIKey | VHWTVINEPPOCLA-XLABTPETSA-N |
Product Overview
3-Deoxyaphidicolin (CAS 85483-00-7), with molecular formula C20H34O3 and molecular weight 322.25 g/mol. IUPAC: (2S,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol.
Chemical Property Profile of 3-Deoxyaphidicolin
Property Insights of 3-Deoxyaphidicolin
The XLogP value of 3.3 indicates that 3-Deoxyaphidicolin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Deoxyaphidicolin. Following Lipinski's Rule of Five, 3-Deoxyaphidicolin has 3 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 3-Deoxyaphidicolin?
The CAS number of 3-Deoxyaphidicolin is 85483-00-7.
What is the molecular formula of 3-Deoxyaphidicolin?
The molecular formula of 3-Deoxyaphidicolin is C20H34O3.
What is the molecular weight of 3-Deoxyaphidicolin?
The molecular weight of 3-Deoxyaphidicolin is 322.25 g/mol.
Where can I buy 3-Deoxyaphidicolin?
You can request a quote for 3-Deoxyaphidicolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deoxyaphidicolin?
Yes, KEHONG BIO provides custom synthesis services for 3-Deoxyaphidicolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.