3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea
TL;DR: 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea (CAS 86764-70-7) is a chemical compound with molecular formula C22H21ClN2O and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibenzyl-3-(2-chloro-6-methylphenyl)urea
Also Known As: 1,1-dibenzyl-3-(2-chloro-6-methylphenyl)urea, N,N-Dibenzyl-N'-(2-chloro-6-methylphenyl)urea, AB00030168-01, 3-(2-CHLORO-6-METHYLPHENYL)-1,1-DIBENZYLUREA, 667-429-9
| Molecular Formula | C22H21ClN2O |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.13425 |
| Heavy Atoms | 26 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 86764-70-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChIKey | YQBYSMFEBKLIFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea (CAS 86764-70-7), with molecular formula C22H21ClN2O and molecular weight 364.13 g/mol. IUPAC: 1,1-dibenzyl-3-(2-chloro-6-methylphenyl)urea.
Chemical Property Profile of 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea
Property Insights of 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea
The XLogP value of 4.2 indicates that 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea 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-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea?
The CAS number of 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea is 86764-70-7.
What is the molecular formula of 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea?
The molecular formula of 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea is C22H21ClN2O.
What is the molecular weight of 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea?
The molecular weight of 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea is 364.13 g/mol.
Where can I buy 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea?
You can request a quote for 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.