1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester
TL;DR: 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester (CAS 31202-23-0) 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 2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
Also Known As: 1-carbomethoxy-2-tetralone, 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester, Methyl2-aminobenzo[d]thiazole-6-carboxylate, 2-Oxotetralin-1-carboxylic acid methyl ester, methyl 2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.7 |
| 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 | 272.0 |
Chemical Identifiers
| CAS Number | 31202-23-0 |
|---|---|
| SMILES | COC(=O)C1C(=O)CCC2=CC=CC=C12 |
| InChIKey | GLARUGUGPKWING-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester (CAS 31202-23-0), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: methyl 2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate.
Chemical Property Profile of 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester
Property Insights of 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, 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 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester?
The CAS number of 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester is 31202-23-0.
What is the molecular formula of 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester?
The molecular formula of 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester is C12H12O3.
What is the molecular weight of 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester?
The molecular weight of 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester is 204.08 g/mol.
Where can I buy 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester?
You can request a quote for 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.