Methyl 1H-indole-2-carboxylate
TL;DR: Methyl 1H-indole-2-carboxylate (CAS 1202-04-6) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1H-indole-2-carboxylate
Also Known As: Methyl 1H-indole-2-carboxylate, Methyl Indole-2-carboxylate, Methyl 2-indolecarboxylate, Indole-2-carboxylic Acid Methyl Ester, 1H-Indole-2-carboxylic acid, methyl ester
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 1202-04-6 |
|---|---|
| SMILES | COC(=O)C1=CC2=CC=CC=C2N1 |
| InChIKey | NQPIEWBAWBFGOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1H-indole-2-carboxylate (CAS 1202-04-6), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: methyl 1H-indole-2-carboxylate.
Chemical Property Profile of Methyl 1H-indole-2-carboxylate
Property Insights of Methyl 1H-indole-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, Methyl 1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1H-indole-2-carboxylate has 1 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 Methyl 1H-indole-2-carboxylate?
The CAS number of Methyl 1H-indole-2-carboxylate is 1202-04-6.
What is the molecular formula of Methyl 1H-indole-2-carboxylate?
The molecular formula of Methyl 1H-indole-2-carboxylate is C10H9NO2.
What is the molecular weight of Methyl 1H-indole-2-carboxylate?
The molecular weight of Methyl 1H-indole-2-carboxylate is 175.06 g/mol.
Where can I buy Methyl 1H-indole-2-carboxylate?
You can request a quote for Methyl 1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.