1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester
TL;DR: 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester (CAS 55591-11-2) 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.
methyl 1,1-dimethyl-2,3-dihydroindene-4-carboxylate
Also Known As: Methyl 1,1-dimethyl-4-indanecarboxylate, Methyl 1,1-dimethyl-4-indanecarboxylate #, methyl 1,1-dimethyl-2,3-dihydroindene-4-carboxylate, 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester, 2,3-Dihydro-1,1-dimethyl-1H-indene-4-carboxylic acid methyl ester
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 55591-11-2 |
|---|---|
| SMILES | CC1(CCC2=C(C=CC=C21)C(=O)OC)C |
| InChIKey | FGFSVAFKXPLLPD-UHFFFAOYSA-N |
Product Overview
1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester (CAS 55591-11-2), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: methyl 1,1-dimethyl-2,3-dihydroindene-4-carboxylate.
Chemical Property Profile of 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester
Property Insights of 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester
The XLogP value of 3.5 indicates that 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl 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-1,1-dimethyl-, methyl 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-1,1-dimethyl-, methyl 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-1,1-dimethyl-, methyl ester?
The CAS number of 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester is 55591-11-2.
What is the molecular formula of 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester?
The molecular formula of 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester is C13H16O2.
What is the molecular weight of 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester?
The molecular weight of 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester is 204.12 g/mol.
Where can I buy 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester?
You can request a quote for 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl 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-1,1-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-4-carboxylic acid, 2,3-dihydro-1,1-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.