Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester
TL;DR: Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester (CAS 82546-67-6) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohexen-1-yl)-4-ethoxy-4-oxobutanoic acid
Also Known As: cyclohex-1-enyl-succinic acid-1-ethyl ester, Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester, 3-(cyclohexen-1-yl)-4-ethoxy-4-oxobutanoic acid, 3-(1-Cyclohexen-1-yl)-4-ethoxy-4-oxobutanoic acid #, Propanoic acid, 3-(ethoxycarbonyl)-3-(1-cyclohexenyl)-
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 82546-67-6 |
|---|---|
| SMILES | CCOC(=O)C(CC(=O)O)C1=CCCCC1 |
| InChIKey | HLYKEZQKPDMUIH-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester (CAS 82546-67-6), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 3-(cyclohexen-1-yl)-4-ethoxy-4-oxobutanoic acid.
Chemical Property Profile of Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester
Property Insights of Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester. Following Lipinski's Rule of Five, Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester 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 Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester?
The CAS number of Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester is 82546-67-6.
What is the molecular formula of Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester?
The molecular formula of Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester is C12H18O4.
What is the molecular weight of Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester?
The molecular weight of Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester is 226.12 g/mol.
Where can I buy Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester?
You can request a quote for Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 1-cyclohexen-1-yl-, 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.