1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea
TL;DR: 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea (CAS 890370-71-5) is a chemical compound with molecular formula C15H23FN2O and molecular weight 266.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-di(butan-2-yl)-3-(4-fluorophenyl)urea
Also Known As: 1,1-dibutan-2-yl-3-(4-fluorophenyl)urea, 1,1-di(butan-2-yl)-3-(4-fluorophenyl)urea, N,N-DI(SEC-BUTYL)-N'-(4-FLUOROPHENYL)UREA, [(4-fluorophenyl)amino]-N,N-bis(methylpropyl)carboxamide
| Molecular Formula | C15H23FN2O |
|---|---|
| Molecular Weight | 266.18 g/mol |
| LogP | 4.2566 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.17944 |
| Heavy Atoms | 19 |
| Complexity | 395.11154 |
Chemical Identifiers
| CAS Number | 890370-71-5 |
|---|---|
| SMILES | CCC(C)N(C(C)CC)C(=O)NC1=CC=C(C=C1)F |
Product Overview
1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea (CAS 890370-71-5), with molecular formula C15H23FN2O and molecular weight 266.18 g/mol. IUPAC: 1,1-di(butan-2-yl)-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea
Property Insights of 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea
The XLogP value of 4.2566 indicates that 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea has 1 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 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea?
The CAS number of 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea is 890370-71-5.
What is the molecular formula of 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea?
The molecular formula of 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea is C15H23FN2O.
What is the molecular weight of 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea?
The molecular weight of 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea is 266.18 g/mol.
Where can I buy 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea?
You can request a quote for 1,1-Dibutan-2-yl-3-(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 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibutan-2-yl-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.