ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate
TL;DR: ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate (CAS 339098-96-3) is a chemical compound with molecular formula C22H19ClN2O2 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylindole-2-carboxylate
Also Known As: ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate, 8H-931, ethyl 1-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate, ethyl 1-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylindole-2-carboxylate, ethyl 1-[(4-chlorophenyl)methyl]-3-pyrrol-1-yl-indole-2-carboxylate
| Molecular Formula | C22H19ClN2O2 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 5.3104 |
| Topological Polar Surface Area | 36.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.1135 |
| Heavy Atoms | 27 |
| Complexity | 1079.6638 |
Chemical Identifiers
| CAS Number | 339098-96-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Cl)N4C=CC=C4 |
Product Overview
ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate (CAS 339098-96-3), with molecular formula C22H19ClN2O2 and molecular weight 378.11 g/mol. IUPAC: ethyl 1-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylindole-2-carboxylate.
Chemical Property Profile of ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate
Property Insights of ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate
The XLogP value of 5.3104 indicates that ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.16 Ų, ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate?
The CAS number of ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate is 339098-96-3.
What is the molecular formula of ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate?
The molecular formula of ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate is C22H19ClN2O2.
What is the molecular weight of ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate?
The molecular weight of ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate is 378.11 g/mol.
Where can I buy ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate?
You can request a quote for ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-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 ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.