1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
TL;DR: 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea (CAS 562-76-5) 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-(4-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
Also Known As: BAS 09079721, 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea, 1-(4-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea, urea, n-(4-chlorophenyl)-n'-(5-methyl-3-isoxazolyl)-, 1-(4-chlorophenyl)-3-(5-methylisoxazol-3-yl)urea
| Molecular Formula | C11H10ClN3O2 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.04616 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 562-76-5 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | WZVHVSUVNZTWMT-UHFFFAOYSA-N |
Product Overview
1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea (CAS 562-76-5), with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
Chemical Property Profile of 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
Property Insights of 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea. Following Lipinski's Rule of Five, 1-(4-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-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea?
The CAS number of 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea is 562-76-5.
What is the molecular formula of 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea?
The molecular formula of 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea is C11H10ClN3O2.
What is the molecular weight of 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea?
The molecular weight of 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea is 251.05 g/mol.
Where can I buy 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea?
You can request a quote for 1-(4-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-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.