![Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester structure](/static/products/1005/1005254-20-5.webp)
Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester
TL;DR: Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester (CAS 1005254-20-5) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl bicyclo[3.3.1]non-6-ene-2-carboxylate
Also Known As: Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester, ethyl bicyclo[3.3.1]non-2-ene-6-carboxylate, Ethyl bicyclo[3.3.1]non-6-ene-2-carboxylate, Ethyl bicyclo[3.3.1]non-6-ene-2-carboxylate #
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 1005254-20-5 |
|---|---|
| SMILES | CCOC(=O)C1CCC2CC1CC=C2 |
| InChIKey | AHPAGJYBHSNFBR-UHFFFAOYSA-N |
Product Overview
Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester (CAS 1005254-20-5), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: ethyl bicyclo[3.3.1]non-6-ene-2-carboxylate.
Chemical Property Profile of Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester
Property Insights of Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, 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[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester?
The CAS number of Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester is 1005254-20-5.
What is the molecular formula of Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester?
The molecular formula of Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester is C12H18O2.
What is the molecular weight of Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester?
The molecular weight of Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester is 194.13 g/mol.
Where can I buy Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester?
You can request a quote for Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, 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[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[3.3.1]non-6-ene-2-carboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.