![3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester structure](/static/products/851/85137-98-0.png)
3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester
TL;DR: 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester (CAS 85137-98-0) is a chemical compound with molecular formula C18H17ClN2O2 and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[amino-(2-chlorophenyl)methyl]-1H-indole-2-carboxylate
Also Known As: 3-[AMINO(2-CHLOROPHENYL)METHYL]-2-INDOLECARBOXYLIC ACID ETHYL ESTER, Ethyl 3-[amino-(2-chlorophenyl)methyl]-1H-indole-2-carboxylate, ETHYL 3-[AMINO(2-CHLOROPHENYL)METHYL]-1H-INDOLE-2-CARBOXYLATE, Ethyl 3-(amino(2-chlorophenyl)methyl)-1H-indole-2-carboxylate
| Molecular Formula | C18H17ClN2O2 |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 4.0461 |
| Topological Polar Surface Area | 68.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.09787 |
| Heavy Atoms | 23 |
| Complexity | 857.1038 |
Chemical Identifiers
| CAS Number | 85137-98-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)C(C3=CC=CC=C3Cl)N |
Product Overview
3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester (CAS 85137-98-0), with molecular formula C18H17ClN2O2 and molecular weight 328.10 g/mol. IUPAC: ethyl 3-[amino-(2-chlorophenyl)methyl]-1H-indole-2-carboxylate.
Chemical Property Profile of 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester
Property Insights of 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester
The XLogP value of 4.0461 indicates that 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid 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 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester. Following Lipinski's Rule of Five, 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid 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 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester?
The CAS number of 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester is 85137-98-0.
What is the molecular formula of 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester?
The molecular formula of 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester is C18H17ClN2O2.
What is the molecular weight of 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester?
The molecular weight of 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester is 328.10 g/mol.
Where can I buy 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester?
You can request a quote for 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-[Amino(2-chlorophenyl)methyl]-2-indolecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.