1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester
TL;DR: 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester (CAS 183545-63-3) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-3-oxo-1,2-dihydroindene-2-carboxylate
Also Known As: methyl 6-methyl-1-indanone-2-carboxylate, Methyl 6-methyl-1-oxo-2-indanecarboxylate, NCI60_024732, methyl 6-methyl-1-oxo-indane-2-carboxylate, METHYL 6-METHYL-1-OXO-2,3-DIHYDRO-1H-INDENE-2-CARBOXYLATE
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 183545-63-3 |
|---|---|
| SMILES | CC1=CC2=C(CC(C2=O)C(=O)OC)C=C1 |
| InChIKey | JSODNIIBTFVQMN-UHFFFAOYSA-N |
Product Overview
1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester (CAS 183545-63-3), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: methyl 5-methyl-3-oxo-1,2-dihydroindene-2-carboxylate.
Chemical Property Profile of 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester
Property Insights of 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester has 0 hydrogen bond donor(s) and 3 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-dihydro-1-oxo-6-methyl-, methyl ester?
The CAS number of 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester is 183545-63-3.
What is the molecular formula of 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester?
The molecular formula of 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester is C12H12O3.
What is the molecular weight of 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester?
The molecular weight of 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester is 204.08 g/mol.
Where can I buy 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester?
You can request a quote for 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, 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-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.