1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea
TL;DR: 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea (CAS 392726-88-4) is a chemical compound with molecular formula C13H8Cl3FN2O and molecular weight 331.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea
Also Known As: 1-(3-chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea, MB1_B_665953A-4, 3-(3-CHLORO-4-FLUOROPHENYL)-1-(3,4-DICHLOROPHENYL)UREA, N-(3,4-dichlorophenyl)[(3-chloro-4-fluorophenyl)amino]carboxamide, RefChem:907291
| Molecular Formula | C13H8Cl3FN2O |
|---|---|
| Molecular Weight | 331.97 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.96863 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 392726-88-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)F |
| InChIKey | LKBBAJFXXZYVQV-UHFFFAOYSA-N |
Product Overview
1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea (CAS 392726-88-4), with molecular formula C13H8Cl3FN2O and molecular weight 331.97 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea
Property Insights of 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea
The XLogP value of 5.4 indicates that 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea has 2 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 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea is 392726-88-4.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea is C13H8Cl3FN2O.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea is 331.97 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-3-(3,4-dichlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.