2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid
TL;DR: 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid (CAS 131119-01-2) is a chemical compound with molecular formula C14H14ClNO4 and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-chloroethoxy)-2-oxoethyl]-1-methylindole-3-carboxylic acid
Also Known As: h-leu-leu-leu-phe-ome hcl, 2- -1-methyl-indole-3-carboxylicacid, 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid, 2-(2-CHLOROETHOXYCARBONYLMETHYL)-1-METHYL-INDOLE-3-CARBOXYLIC ACID, 2-[2-(2-chloroethoxy)-2-oxoethyl]-1-methylindole-3-carboxylic acid
| Molecular Formula | C14H14ClNO4 |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.06113 |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 131119-01-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CC(=O)OCCCl)C(=O)O |
| InChIKey | ORFLDOJIHBGTDF-UHFFFAOYSA-N |
Product Overview
2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid (CAS 131119-01-2), with molecular formula C14H14ClNO4 and molecular weight 295.06 g/mol. IUPAC: 2-[2-(2-chloroethoxy)-2-oxoethyl]-1-methylindole-3-carboxylic acid.
Chemical Property Profile of 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid
Property Insights of 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid?
The CAS number of 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid is 131119-01-2.
What is the molecular formula of 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid?
The molecular formula of 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid is C14H14ClNO4.
What is the molecular weight of 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid?
The molecular weight of 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid is 295.06 g/mol.
Where can I buy 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid?
You can request a quote for 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.