1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl-
TL;DR: 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl- (CAS 57055-64-8) is a chemical compound with molecular formula C17H14ClNO2 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-1-methylindole-2-carboxylic acid
Also Known As: 1-Methyl-2-carboxy-3-(o-chlorobenzyl)indole, 5-22-03-00451 (Beilstein Handbook Reference), 1H-INDOLE-2-CARBOXYLIC ACID, 3-((2-CHLOROPHENYL)METHYL)-1-METHYL-, 3-((2-Chlorophenyl)methyl)-1-methyl-1H-indole-2-carboxylic acid, 3-[(2-chlorophenyl)methyl]-1-methylindole-2-carboxylic acid
| Molecular Formula | C17H14ClNO2 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07132 |
| Heavy Atoms | 21 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 57055-64-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1C(=O)O)CC3=CC=CC=C3Cl |
| InChIKey | MNZNKUBUMFBFRO-UHFFFAOYSA-N |
Product Overview
1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl- (CAS 57055-64-8), with molecular formula C17H14ClNO2 and molecular weight 299.07 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-1-methylindole-2-carboxylic acid.
Chemical Property Profile of 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl-
Property Insights of 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl-
The XLogP value of 4.4 indicates that 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl- 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 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl-?
The CAS number of 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl- is 57055-64-8.
What is the molecular formula of 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl-?
The molecular formula of 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl- is C17H14ClNO2.
What is the molecular weight of 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl-?
The molecular weight of 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl- is 299.07 g/mol.
Where can I buy 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl-?
You can request a quote for 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)methyl)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.