3-(3-Chlorophenyl)-1,1-diisobutylurea
TL;DR: 3-(3-Chlorophenyl)-1,1-diisobutylurea (CAS 82744-87-4) is a chemical compound with molecular formula C15H23ClN2O and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-1,1-bis(2-methylpropyl)urea
Also Known As: 3-(3-Chlorophenyl)-1,1-diisobutylurea, N'-(3-CHLOROPHENYL)-N,N-DIISOBUTYLUREA, 3-(3-chlorophenyl)-1,1-bis(2-methylpropyl)urea, 1-(3-chlorophenyl)-3,3-bis(2-methylpropyl)urea, [(3-chlorophenyl)amino]-N,N-bis(2-methylpropyl)carboxamide
| Molecular Formula | C15H23ClN2O |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 4.4859 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.1499 |
| Heavy Atoms | 19 |
| Complexity | 408.36154 |
Chemical Identifiers
| CAS Number | 82744-87-4 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)C(=O)NC1=CC(=CC=C1)Cl |
Product Overview
3-(3-Chlorophenyl)-1,1-diisobutylurea (CAS 82744-87-4), with molecular formula C15H23ClN2O and molecular weight 282.15 g/mol. IUPAC: 3-(3-chlorophenyl)-1,1-bis(2-methylpropyl)urea.
Chemical Property Profile of 3-(3-Chlorophenyl)-1,1-diisobutylurea
Property Insights of 3-(3-Chlorophenyl)-1,1-diisobutylurea
The XLogP value of 4.4859 indicates that 3-(3-Chlorophenyl)-1,1-diisobutylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 3-(3-Chlorophenyl)-1,1-diisobutylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chlorophenyl)-1,1-diisobutylurea 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 3-(3-Chlorophenyl)-1,1-diisobutylurea?
The CAS number of 3-(3-Chlorophenyl)-1,1-diisobutylurea is 82744-87-4.
What is the molecular formula of 3-(3-Chlorophenyl)-1,1-diisobutylurea?
The molecular formula of 3-(3-Chlorophenyl)-1,1-diisobutylurea is C15H23ClN2O.
What is the molecular weight of 3-(3-Chlorophenyl)-1,1-diisobutylurea?
The molecular weight of 3-(3-Chlorophenyl)-1,1-diisobutylurea is 282.15 g/mol.
Where can I buy 3-(3-Chlorophenyl)-1,1-diisobutylurea?
You can request a quote for 3-(3-Chlorophenyl)-1,1-diisobutylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chlorophenyl)-1,1-diisobutylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chlorophenyl)-1,1-diisobutylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.