Aphidicolin, 18-carboxy
TL;DR: Aphidicolin, 18-carboxy (CAS 82026-05-9) 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.
5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-6-carboxylic acid
Also Known As: APHIDICOLIN, 18-CARBOXY, 3alpha,16,17-trihydroxyaphidicolan-18-oate, 3,9-Dihydroxy-9-(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-4-carboxylic acid
| Molecular Formula | C20H32O5 |
|---|---|
| Molecular Weight | 352.22 g/mol |
| LogP | 2.4 |
| 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 | 82026-05-9 |
|---|---|
| SMILES | CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)C(=O)O)O |
| InChIKey | BGVJVJFOQALRJT-UHFFFAOYSA-N |
Product Overview
Aphidicolin, 18-carboxy (CAS 82026-05-9), with molecular formula C20H32O5 and molecular weight 352.22 g/mol. IUPAC: 5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-6-carboxylic acid.
Chemical Property Profile of Aphidicolin, 18-carboxy
Property Insights of Aphidicolin, 18-carboxy
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aphidicolin, 18-carboxy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aphidicolin, 18-carboxy. Following Lipinski's Rule of Five, Aphidicolin, 18-carboxy 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, 18-carboxy?
The CAS number of Aphidicolin, 18-carboxy is 82026-05-9.
What is the molecular formula of Aphidicolin, 18-carboxy?
The molecular formula of Aphidicolin, 18-carboxy is C20H32O5.
What is the molecular weight of Aphidicolin, 18-carboxy?
The molecular weight of Aphidicolin, 18-carboxy is 352.22 g/mol.
Where can I buy Aphidicolin, 18-carboxy?
You can request a quote for Aphidicolin, 18-carboxy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aphidicolin, 18-carboxy?
Yes, KEHONG BIO provides custom synthesis services for Aphidicolin, 18-carboxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.