Vinyl hydrogen adipate
TL;DR: Vinyl hydrogen adipate (CAS 5238-38-0) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethenoxy-6-oxohexanoic acid
Also Known As: Vinyl hydrogen adipate, 1-Ethenyl hexanedioate, Adipic acid 1-vinyl ester, adipic acid monovinyl ester, 6-ethenoxy-6-oxohexanoic acid
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 5238-38-0 |
|---|---|
| SMILES | C=COC(=O)CCCCC(=O)O |
| InChIKey | PRQREXSTQVWUGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl hydrogen adipate (CAS 5238-38-0), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 6-ethenoxy-6-oxohexanoic acid.
Chemical Property Profile of Vinyl hydrogen adipate
Property Insights of Vinyl hydrogen adipate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl hydrogen adipate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Vinyl hydrogen adipate. Following Lipinski's Rule of Five, Vinyl hydrogen adipate 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 Vinyl hydrogen adipate?
The CAS number of Vinyl hydrogen adipate is 5238-38-0.
What is the molecular formula of Vinyl hydrogen adipate?
The molecular formula of Vinyl hydrogen adipate is C8H12O4.
What is the molecular weight of Vinyl hydrogen adipate?
The molecular weight of Vinyl hydrogen adipate is 172.07 g/mol.
Where can I buy Vinyl hydrogen adipate?
You can request a quote for Vinyl hydrogen adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl hydrogen adipate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl hydrogen adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.