1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
TL;DR: 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea (CAS 694504-84-2) is a chemical compound with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
Also Known As: BAS 09615736, 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea, N-(2-chlorophenyl)-N'-(5-methyl-3-isoxazolyl)urea, 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea, N-(2-Chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)urea
| Molecular Formula | C11H10ClN3O2 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 3.28042 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.04616 |
| Heavy Atoms | 17 |
| Complexity | 539.01776 |
Chemical Identifiers
| CAS Number | 694504-84-2 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)NC2=CC=CC=C2Cl |
Product Overview
1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea (CAS 694504-84-2), with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol. IUPAC: 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
Chemical Property Profile of 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
Property Insights of 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
The XLogP value of 3.28042 indicates that 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea. Following Lipinski's Rule of Five, 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea has 2 hydrogen bond donor(s) and 3 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-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea?
The CAS number of 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea is 694504-84-2.
What is the molecular formula of 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea?
The molecular formula of 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea is C11H10ClN3O2.
What is the molecular weight of 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea?
The molecular weight of 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea is 251.05 g/mol.
Where can I buy 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea?
You can request a quote for 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.