1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester
TL;DR: 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester (CAS 70071-93-1) 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 2,3,3a,4,7,7a-hexahydro-1H-indene-2-carboxylate
Also Known As: Ethyl 2,3,3a,4,7,7a-hexahydro-1H-indene-2-carboxylate, 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester, Ethyl (8R,S)-cis-bicyclo[4.3.0]-3-nonene-8-carboxylate, Ethyl trans-bicyclo[4.3.0]-3-nonene-8-carboxylate, (8R,S)-Ethyl-cis-bicyclo(4.3.0)-3-nonene-8-carboxylate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.6 |
| 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 | 229.0 |
Chemical Identifiers
| CAS Number | 70071-93-1 |
|---|---|
| SMILES | CCOC(=O)C1CC2CC=CCC2C1 |
| InChIKey | PLUYQOMGIQDWTH-UHFFFAOYSA-N |
Product Overview
1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester (CAS 70071-93-1), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: ethyl 2,3,3a,4,7,7a-hexahydro-1H-indene-2-carboxylate.
Chemical Property Profile of 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester
Property Insights of 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, 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 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester?
The CAS number of 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester is 70071-93-1.
What is the molecular formula of 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester?
The molecular formula of 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester is C12H18O2.
What is the molecular weight of 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester?
The molecular weight of 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester is 194.13 g/mol.
Where can I buy 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester?
You can request a quote for 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-2-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.