1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester
TL;DR: 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester (CAS 71042-72-3) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate
Also Known As: ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate, Ethyl 7-methyl-4-indancarboxylate, Ethyl 7-Methylindane-4-carboxylate, 2,3-Dihydro-7-methyl-1H-indene-4-carboxylic acid ethyl ester, 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 71042-72-3 |
|---|---|
| SMILES | CCOC(=O)C1=C2CCCC2=C(C=C1)C |
| InChIKey | ZZUHUGVNICWMQB-UHFFFAOYSA-N |
Product Overview
1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester (CAS 71042-72-3), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate.
Chemical Property Profile of 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester
Property Insights of 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester
The XLogP value of 3.3 indicates that 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indene-4-carboxylic acid, 2,3-dihydro-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 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester?
The CAS number of 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester is 71042-72-3.
What is the molecular formula of 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester?
The molecular formula of 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester is C13H16O2.
What is the molecular weight of 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester?
The molecular weight of 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester is 204.12 g/mol.
Where can I buy 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester?
You can request a quote for 1H-Indene-4-carboxylic acid, 2,3-dihydro-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 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.