![N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea structure](/static/products/866/866017-64-3.png)
N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea
TL;DR: N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea (CAS 866017-64-3) is a chemical compound with molecular formula C22H21ClN4O2 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]urea
Also Known As: N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea, 1-(4-chlorophenyl)-3-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]urea, 1-(4-chlorophenyl)-3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}urea, 1-(4-chlorophenyl)-3-(3-cyano-4,5-dimethyl-1-p-anisyl-pyrrol-2-yl)urea, 1-(4-chlorophenyl)-3-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-2-pyrrolyl]urea
| Molecular Formula | C22H21ClN4O2 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 5.33092 |
| Topological Polar Surface Area | 79.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.1353 |
| Heavy Atoms | 29 |
| Complexity | 1064.1771 |
Chemical Identifiers
| CAS Number | 866017-64-3 |
|---|---|
| SMILES | CC1=C(N(C(=C1C#N)NC(=O)NC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)OC)C |
Product Overview
N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea (CAS 866017-64-3), with molecular formula C22H21ClN4O2 and molecular weight 408.14 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]urea.
Chemical Property Profile of N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea
Property Insights of N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea
The XLogP value of 5.33092 indicates that N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.08 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea?
The CAS number of N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea is 866017-64-3.
What is the molecular formula of N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea?
The molecular formula of N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea is C22H21ClN4O2.
What is the molecular weight of N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea?
The molecular weight of N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea is 408.14 g/mol.
Where can I buy N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea?
You can request a quote for N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-N'-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.