![1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile structure](/static/products/4780/478046-98-9.webp)
1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile
TL;DR: 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile (CAS 478046-98-9) is a chemical compound with molecular formula C20H14Cl2N2O and molecular weight 368.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chlorophenyl)acetyl]-1-[(3-chlorophenyl)methyl]pyrrole-2-carbonitrile
Also Known As: Bionet1_004254, 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile, 4-[2-(4-chlorophenyl)acetyl]-1-[(3-chlorophenyl)methyl]-1H-pyrrole-2-carbonitrile, 4R-0323, 4-[2-(4-chlorophenyl)acetyl]-1-[(3-chlorophenyl)methyl]pyrrole-2-carbonitrile
| Molecular Formula | C20H14Cl2N2O |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | 5.14028 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.0483 |
| Heavy Atoms | 25 |
| Complexity | 952.57263 |
Chemical Identifiers
| CAS Number | 478046-98-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CN2C=C(C=C2C#N)C(=O)CC3=CC=C(C=C3)Cl |
Product Overview
1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile (CAS 478046-98-9), with molecular formula C20H14Cl2N2O and molecular weight 368.05 g/mol. IUPAC: 4-[2-(4-chlorophenyl)acetyl]-1-[(3-chlorophenyl)methyl]pyrrole-2-carbonitrile.
Chemical Property Profile of 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile
Property Insights of 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile
The XLogP value of 5.14028 indicates that 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile 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 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile?
The CAS number of 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile is 478046-98-9.
What is the molecular formula of 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile?
The molecular formula of 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile is C20H14Cl2N2O.
What is the molecular weight of 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile?
The molecular weight of 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile is 368.05 g/mol.
Where can I buy 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile?
You can request a quote for 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorobenzyl)-4-[2-(4-chlorophenyl)acetyl]-1H-pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.