1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester
TL;DR: 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester (CAS 65047-98-5) is a chemical compound with molecular formula C12H10Cl4N2O2 and molecular weight 353.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(aminomethyl)-4,5,6,7-tetrachloro-1H-indole-3-carboxylate
Also Known As: 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester, 2-(Aminomethyl)-4,5,6,7-tetrachloro-1H-indole-3-carboxylic acid ethyl ester, ethyl 2-(aminomethyl)-4,5,6,7-tetrachloro-1H-indole-3-carboxylate, ethyl2-4,5,6,7-tetrachloro-1h-indole-3-carboxylate, ethyl2- -4,5,6,7-tetrachloro-1H-indole-3-carboxylate
| Molecular Formula | C12H10Cl4N2O2 |
|---|---|
| Molecular Weight | 353.95 g/mol |
| LogP | 4.4169 |
| Topological Polar Surface Area | 68.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.94965 |
| Heavy Atoms | 20 |
| Complexity | 696.8026 |
Chemical Identifiers
| CAS Number | 65047-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C1C(=C(C(=C2Cl)Cl)Cl)Cl)CN |
Product Overview
1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester (CAS 65047-98-5), with molecular formula C12H10Cl4N2O2 and molecular weight 353.95 g/mol. IUPAC: ethyl 2-(aminomethyl)-4,5,6,7-tetrachloro-1H-indole-3-carboxylate.
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester
Property Insights of 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester
The XLogP value of 4.4169 indicates that 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester has 2 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-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester?
The CAS number of 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester is 65047-98-5.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester?
The molecular formula of 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester is C12H10Cl4N2O2.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester?
The molecular weight of 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester is 353.95 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester?
You can request a quote for 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxylic acid, 2-(aminomethyl)-4,5,6,7-tetrachloro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.