Cepacin A
TL;DR: Cepacin A (CAS 91682-95-0) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1E)-3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diynyl]oxolan-2-one
Also Known As: Cepacin A, 2(5H)-Furanone, 5-(3-(3-(1,2-heptadiene-4,6-diynyl)oxiranyl)-3-hydroxy-1-propenyl)dihydro-, 2(3H)-FURANONE, 4,5-DIHYDRO-5-(3-HYDROXY-4-OXODODECA-1,6,7-TRIEN-9,11-DIYNYL)-, 4,5-Dihydro-5-(3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diynyl)-2(3H)-furanone, 5-[(1E)-3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diynyl]oxolan-2-one
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 0.9162 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 559.5098 |
Chemical Identifiers
| CAS Number | 91682-95-0 |
|---|---|
| SMILES | C#CC#CC=C=CCC(=O)C(/C=C/C1CCC(=O)O1)O |
Product Overview
Cepacin A (CAS 91682-95-0), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 5-[(1E)-3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diynyl]oxolan-2-one.
Chemical Property Profile of Cepacin A
Property Insights of Cepacin A
The XLogP value of 0.9162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cepacin A. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cepacin A. Following Lipinski's Rule of Five, Cepacin A has 1 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 Cepacin A?
The CAS number of Cepacin A is 91682-95-0.
What is the molecular formula of Cepacin A?
The molecular formula of Cepacin A is C16H14O4.
What is the molecular weight of Cepacin A?
The molecular weight of Cepacin A is 270.09 g/mol.
Where can I buy Cepacin A?
You can request a quote for Cepacin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cepacin A?
Yes, KEHONG BIO provides custom synthesis services for Cepacin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.