![3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea structure](/static/products/5939/5939-67-3.webp)
3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea
TL;DR: 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea (CAS 5939-67-3) is a chemical compound with molecular formula C25H27FN4O and molecular weight 418.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea
Also Known As: 3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea, 3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea, N'-(3-Cyanophenyl)-N-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-pentylurea
| Molecular Formula | C25H27FN4O |
|---|---|
| Molecular Weight | 418.22 g/mol |
| LogP | 5.77148 |
| Topological Polar Surface Area | 61.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 418.2169 |
| Heavy Atoms | 31 |
| Complexity | 1053.4257 |
Chemical Identifiers
| CAS Number | 5939-67-3 |
|---|---|
| SMILES | CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC3=CC=CC(=C3)C#N |
Product Overview
3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea (CAS 5939-67-3), with molecular formula C25H27FN4O and molecular weight 418.22 g/mol. IUPAC: 3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea.
Chemical Property Profile of 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea
Property Insights of 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea
The XLogP value of 5.77148 indicates that 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea. Following Lipinski's Rule of Five, 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea has 1 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 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea?
The CAS number of 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea is 5939-67-3.
What is the molecular formula of 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea?
The molecular formula of 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea is C25H27FN4O.
What is the molecular weight of 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea?
The molecular weight of 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea is 418.22 g/mol.
Where can I buy 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea?
You can request a quote for 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.