Aphidicolin, 3-keto
TL;DR: Aphidicolin, 3-keto (CAS 82026-06-0) is a chemical compound with molecular formula C20H32O4 and molecular weight 336.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5-one
Also Known As: 3-Ketoaphidicolin, APHIDICOLIN, 3-KETO, 13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5-one, 9-Hydroxy-4,9-bis(hydroxymethyl)-4,11b-dimethyldodecahydro-8,11a-methanocyclohepta[a]naphthalen-3(2H)-one
| Molecular Formula | C20H32O4 |
|---|---|
| Molecular Weight | 336.23 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.23007 |
| Heavy Atoms | 24 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 82026-06-0 |
|---|---|
| SMILES | CC12CCC(=O)C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO |
| InChIKey | PCKFULMONJBMIR-UHFFFAOYSA-N |
Product Overview
Aphidicolin, 3-keto (CAS 82026-06-0), with molecular formula C20H32O4 and molecular weight 336.23 g/mol. IUPAC: 13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5-one.
Chemical Property Profile of Aphidicolin, 3-keto
Property Insights of Aphidicolin, 3-keto
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aphidicolin, 3-keto. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Aphidicolin, 3-keto. Following Lipinski's Rule of Five, Aphidicolin, 3-keto has 3 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 Aphidicolin, 3-keto?
The CAS number of Aphidicolin, 3-keto is 82026-06-0.
What is the molecular formula of Aphidicolin, 3-keto?
The molecular formula of Aphidicolin, 3-keto is C20H32O4.
What is the molecular weight of Aphidicolin, 3-keto?
The molecular weight of Aphidicolin, 3-keto is 336.23 g/mol.
Where can I buy Aphidicolin, 3-keto?
You can request a quote for Aphidicolin, 3-keto directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aphidicolin, 3-keto?
Yes, KEHONG BIO provides custom synthesis services for Aphidicolin, 3-keto and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.