Cepacin B
TL;DR: Cepacin B (CAS 91682-94-9) is a chemical compound with molecular formula C16H14O5 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-(3-hepta-1,2-dien-4,6-diynyloxiran-2-yl)oxiran-2-yl]-hydroxymethyl]oxolan-2-one
Also Known As: Cepacin B, 4,5-Dihydro-5-(2,3:4,5-diepoxy-1-hydroxydodeca-6,7-dien-9,11-diynyl)-2(3H)-furanone, 2(5H)-Furanone, 5-((3'-(1,2-heptadiene-4,6-diynyl)(2,2'-bioxiran)-3-yl)hydroxymethyl)dihydro-, 2(3H)-Furanone, 4,5-dihydro-5-(2,3:4,5-diepoxy-1-hydroxydodeca-6,7-dien-9,11-diynyl)-, 5-[[3-(3-hepta-1,2-dien-4,6-diynyloxiran-2-yl)oxiran-2-yl]-hydroxymethyl]oxolan-2-one
| Molecular Formula | C16H14O5 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.08414 |
| Heavy Atoms | 21 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 91682-94-9 |
|---|---|
| SMILES | C#CC#CC=C=CC1C(O1)C2C(O2)C(C3CCC(=O)O3)O |
| InChIKey | JMBCDSUOYMQCGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cepacin B (CAS 91682-94-9), with molecular formula C16H14O5 and molecular weight 286.08 g/mol. IUPAC: 5-[[3-(3-hepta-1,2-dien-4,6-diynyloxiran-2-yl)oxiran-2-yl]-hydroxymethyl]oxolan-2-one.
Chemical Property Profile of Cepacin B
Property Insights of Cepacin B
The XLogP value of -0.1 indicates that Cepacin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cepacin B. Following Lipinski's Rule of Five, Cepacin B has 1 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 Cepacin B?
The CAS number of Cepacin B is 91682-94-9.
What is the molecular formula of Cepacin B?
The molecular formula of Cepacin B is C16H14O5.
What is the molecular weight of Cepacin B?
The molecular weight of Cepacin B is 286.08 g/mol.
Where can I buy Cepacin B?
You can request a quote for Cepacin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cepacin B?
Yes, KEHONG BIO provides custom synthesis services for Cepacin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.