Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester
TL;DR: Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester (CAS 274690-19-6) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-methylbicyclo[4.1.0]heptane-7-carboxylate
Also Known As: ethyl 7-methylbicyclo[4.1.0]heptane-7-carboxylate, Bicyclo[4.1.0]heptane-7-carboxylicacid,7-methyl-,ethylester, bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester, Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester (9CI)
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.3758 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 210.13017 |
Chemical Identifiers
| CAS Number | 274690-19-6 |
|---|---|
| SMILES | CCOC(=O)C1(C2C1CCCC2)C |
Product Overview
Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester (CAS 274690-19-6), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: ethyl 7-methylbicyclo[4.1.0]heptane-7-carboxylate.
Chemical Property Profile of Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester
Property Insights of Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester
The XLogP value of 2.3758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester has 0 hydrogen bond donor(s) and 2 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 Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester?
The CAS number of Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester is 274690-19-6.
What is the molecular formula of Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester?
The molecular formula of Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester is C11H18O2.
What is the molecular weight of Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester?
The molecular weight of Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester is 182.13 g/mol.
Where can I buy Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester?
You can request a quote for Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.