Aphidicolin, 6-beta-hydroxy-3-keto
TL;DR: Aphidicolin, 6-beta-hydroxy-3-keto (CAS 91784-89-3) is a chemical compound with molecular formula C20H32O5 and molecular weight 352.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,6R,7R,8R,10R,12R,13R)-8,13-dihydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5-one
Also Known As: 6.beta.-Hydroxy-3-ketoaphidicolin, APHIDICOLIN, 6-BETA-HYDROXY-3-KETO, APHIDICOLIN 6B-HYDROXY - 3 - KETO-, (4R,4aR,5R,6aR,8R,9R,11aS,11bS)-5,9-Dihydroxy-4,9-bis(hydroxymethyl)-4,11b-dimethyldodecahydro-8,11a-methanocyclohepta[a]naphthalen-3(2H)-one
| Molecular Formula | C20H32O5 |
|---|---|
| Molecular Weight | 352.22 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.22498 |
| Heavy Atoms | 25 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 91784-89-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)[C@@]([C@@H]1[C@@H](C[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)O)(C)CO |
| InChIKey | PEVKRVJXDZYJME-KCWXIJNOSA-N |
Product Overview
Aphidicolin, 6-beta-hydroxy-3-keto (CAS 91784-89-3), with molecular formula C20H32O5 and molecular weight 352.22 g/mol. IUPAC: (1S,2S,6R,7R,8R,10R,12R,13R)-8,13-dihydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5-one.
Chemical Property Profile of Aphidicolin, 6-beta-hydroxy-3-keto
Property Insights of Aphidicolin, 6-beta-hydroxy-3-keto
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aphidicolin, 6-beta-hydroxy-3-keto. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aphidicolin, 6-beta-hydroxy-3-keto. Following Lipinski's Rule of Five, Aphidicolin, 6-beta-hydroxy-3-keto has 4 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 Aphidicolin, 6-beta-hydroxy-3-keto?
The CAS number of Aphidicolin, 6-beta-hydroxy-3-keto is 91784-89-3.
What is the molecular formula of Aphidicolin, 6-beta-hydroxy-3-keto?
The molecular formula of Aphidicolin, 6-beta-hydroxy-3-keto is C20H32O5.
What is the molecular weight of Aphidicolin, 6-beta-hydroxy-3-keto?
The molecular weight of Aphidicolin, 6-beta-hydroxy-3-keto is 352.22 g/mol.
Where can I buy Aphidicolin, 6-beta-hydroxy-3-keto?
You can request a quote for Aphidicolin, 6-beta-hydroxy-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, 6-beta-hydroxy-3-keto?
Yes, KEHONG BIO provides custom synthesis services for Aphidicolin, 6-beta-hydroxy-3-keto and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.