Aphidicolin-17-acetate
TL;DR: Aphidicolin-17-acetate (CAS 5456-44-0) is a chemical compound with molecular formula C22H36O5 and molecular weight 380.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R,6R,7R,10S,12R,13S)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
Also Known As: Aphidicolin-17-acetate, Aphidicolin-17-monoacetate, KST-1A5866, [(3r,4r,4ar,6as,8r,9s,11bs)-3,9-dihydroxy-4-(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalen-9-yl]methyl acetate, [(2S,5R,6R,7R,10S,12R,13S)-5,13-Dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
| Molecular Formula | C22H36O5 |
|---|---|
| Molecular Weight | 380.26 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.2563 |
| Heavy Atoms | 27 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 5456-44-0 |
|---|---|
| SMILES | CC(=O)OC[C@@]1(CCC23C[C@H]1C[C@@H]2CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)CO)O)C)O |
| InChIKey | GAPINCSXTLCIPV-AWEAMKMDSA-N |
Product Overview
Aphidicolin-17-acetate (CAS 5456-44-0), with molecular formula C22H36O5 and molecular weight 380.26 g/mol. IUPAC: [(2S,5R,6R,7R,10S,12R,13S)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate.
Chemical Property Profile of Aphidicolin-17-acetate
Property Insights of Aphidicolin-17-acetate
The XLogP value of 3.1 indicates that Aphidicolin-17-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aphidicolin-17-acetate. Following Lipinski's Rule of Five, Aphidicolin-17-acetate has 3 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-17-acetate?
The CAS number of Aphidicolin-17-acetate is 5456-44-0.
What is the molecular formula of Aphidicolin-17-acetate?
The molecular formula of Aphidicolin-17-acetate is C22H36O5.
What is the molecular weight of Aphidicolin-17-acetate?
The molecular weight of Aphidicolin-17-acetate is 380.26 g/mol.
Where can I buy Aphidicolin-17-acetate?
You can request a quote for Aphidicolin-17-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aphidicolin-17-acetate?
Yes, KEHONG BIO provides custom synthesis services for Aphidicolin-17-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.