![N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea structure](/static/products/866/866038-95-1.png)
N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea
TL;DR: N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea (CAS 866038-95-1) is a chemical compound with molecular formula C22H21FN4O2 and molecular weight 392.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]-3-(4-fluorophenyl)urea
Also Known As: N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea, 1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]-3-(4-fluorophenyl)urea, 3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(4-fluorophenyl)urea
| Molecular Formula | C22H21FN4O2 |
|---|---|
| Molecular Weight | 392.16 g/mol |
| LogP | 4.81662 |
| Topological Polar Surface Area | 79.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.16486 |
| Heavy Atoms | 29 |
| Complexity | 1064.1771 |
Chemical Identifiers
| CAS Number | 866038-95-1 |
|---|---|
| SMILES | CC1=C(N(C(=C1C#N)NC(=O)NC2=CC=C(C=C2)F)CC3=CC=C(C=C3)OC)C |
Product Overview
N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea (CAS 866038-95-1), with molecular formula C22H21FN4O2 and molecular weight 392.16 g/mol. IUPAC: 1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]-3-(4-fluorophenyl)urea.
Chemical Property Profile of N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea
Property Insights of N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea
The XLogP value of 4.81662 indicates that N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)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-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea 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 N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea?
The CAS number of N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea is 866038-95-1.
What is the molecular formula of N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea?
The molecular formula of N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea is C22H21FN4O2.
What is the molecular weight of N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea?
The molecular weight of N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea is 392.16 g/mol.
Where can I buy N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea?
You can request a quote for N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.