N-(sec-butyl)-N'-(2-fluorophenyl)urea
TL;DR: N-(sec-butyl)-N'-(2-fluorophenyl)urea (CAS 100561-94-2) is a chemical compound with molecular formula C11H15FN2O and molecular weight 210.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-3-(2-fluorophenyl)urea
Also Known As: 1-butan-2-yl-3-(2-fluorophenyl)urea, N-(sec-butyl)-N'-(2-fluorophenyl)urea, 1-(sec-butyl)-3-(2-fluorophenyl)urea, AE-848/41826911, N-(2-fluorophenyl)[(methylpropyl)amino]carboxamide
| Molecular Formula | C11H15FN2O |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 2.7457 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.11684 |
| Heavy Atoms | 15 |
| Complexity | 341.11475 |
Chemical Identifiers
| CAS Number | 100561-94-2 |
|---|---|
| SMILES | CCC(C)NC(=O)NC1=CC=CC=C1F |
Product Overview
N-(sec-butyl)-N'-(2-fluorophenyl)urea (CAS 100561-94-2), with molecular formula C11H15FN2O and molecular weight 210.12 g/mol. IUPAC: 1-butan-2-yl-3-(2-fluorophenyl)urea.
Chemical Property Profile of N-(sec-butyl)-N'-(2-fluorophenyl)urea
Property Insights of N-(sec-butyl)-N'-(2-fluorophenyl)urea
The XLogP value of 2.7457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(sec-butyl)-N'-(2-fluorophenyl)urea. With a topological polar surface area (TPSA) of 41.13 Ų, N-(sec-butyl)-N'-(2-fluorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(sec-butyl)-N'-(2-fluorophenyl)urea has 2 hydrogen bond donor(s) and 1 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-(sec-butyl)-N'-(2-fluorophenyl)urea?
The CAS number of N-(sec-butyl)-N'-(2-fluorophenyl)urea is 100561-94-2.
What is the molecular formula of N-(sec-butyl)-N'-(2-fluorophenyl)urea?
The molecular formula of N-(sec-butyl)-N'-(2-fluorophenyl)urea is C11H15FN2O.
What is the molecular weight of N-(sec-butyl)-N'-(2-fluorophenyl)urea?
The molecular weight of N-(sec-butyl)-N'-(2-fluorophenyl)urea is 210.12 g/mol.
Where can I buy N-(sec-butyl)-N'-(2-fluorophenyl)urea?
You can request a quote for N-(sec-butyl)-N'-(2-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-(sec-butyl)-N'-(2-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(sec-butyl)-N'-(2-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.