3-Ketoaphidicolin
TL;DR: 3-Ketoaphidicolin (CAS 86674-65-9) 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.
(1R,2R,6R,7S,10R,12S,13S)-13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5-one
Also Known As: 3-Ketoaphidicolin, KST-1A8632, (4r,4as,6ar,8s,9s,11ar,11br)-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 | 86674-65-9 |
|---|---|
| SMILES | C[C@@]12CCC(=O)[C@@]([C@H]1CC[C@H]3[C@]24CC[C@]([C@@H](C3)C4)(CO)O)(C)CO |
| InChIKey | PCKFULMONJBMIR-XVJCOFAPSA-N |
Product Overview
3-Ketoaphidicolin (CAS 86674-65-9), with molecular formula C20H32O4 and molecular weight 336.23 g/mol. IUPAC: (1R,2R,6R,7S,10R,12S,13S)-13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5-one.
Chemical Property Profile of 3-Ketoaphidicolin
Property Insights of 3-Ketoaphidicolin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ketoaphidicolin. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ketoaphidicolin. Following Lipinski's Rule of Five, 3-Ketoaphidicolin 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 3-Ketoaphidicolin?
The CAS number of 3-Ketoaphidicolin is 86674-65-9.
What is the molecular formula of 3-Ketoaphidicolin?
The molecular formula of 3-Ketoaphidicolin is C20H32O4.
What is the molecular weight of 3-Ketoaphidicolin?
The molecular weight of 3-Ketoaphidicolin is 336.23 g/mol.
Where can I buy 3-Ketoaphidicolin?
You can request a quote for 3-Ketoaphidicolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ketoaphidicolin?
Yes, KEHONG BIO provides custom synthesis services for 3-Ketoaphidicolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.