![4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile structure](/static/products/4391/439108-40-4.webp)
4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile
TL;DR: 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile (CAS 439108-40-4) is a chemical compound with molecular formula C21H17ClN2O and molecular weight 348.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chlorophenyl)acetyl]-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile
Also Known As: 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile, 4-[2-(4-chlorophenyl)acetyl]-1-[(2-methylphenyl)methyl]-1H-pyrrole-2-carbonitrile, 4-[2-(4-chlorophenyl)acetyl]-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile, 4-[2-(4-chlorophenyl)acetyl]-1-(o-tolylmethyl)pyrrole-2-carbonitrile, C21H17ClN2O
| Molecular Formula | C21H17ClN2O |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 4.7953 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.10294 |
| Heavy Atoms | 25 |
| Complexity | 948.7725 |
Chemical Identifiers
| CAS Number | 439108-40-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C=C(C=C2C#N)C(=O)CC3=CC=C(C=C3)Cl |
Product Overview
4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile (CAS 439108-40-4), with molecular formula C21H17ClN2O and molecular weight 348.10 g/mol. IUPAC: 4-[2-(4-chlorophenyl)acetyl]-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile.
Chemical Property Profile of 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile
Property Insights of 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile
The XLogP value of 4.7953 indicates that 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-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, 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile has 0 hydrogen bond donor(s) and 2 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 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile?
The CAS number of 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile is 439108-40-4.
What is the molecular formula of 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile?
The molecular formula of 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile is C21H17ClN2O.
What is the molecular weight of 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile?
The molecular weight of 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile is 348.10 g/mol.
Where can I buy 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile?
You can request a quote for 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-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 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-chlorophenyl)acetyl]-1-(2-methylbenzyl)-1H-pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.