1-(5-Methylisoxazol-3-yl)-3-phenylurea
TL;DR: 1-(5-Methylisoxazol-3-yl)-3-phenylurea (CAS 5632-79-1) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-1,2-oxazol-3-yl)-3-phenylurea
Also Known As: 1-(5-Methylisoxazol-3-yl)-3-phenylurea, N-(5-methyl-3-isoxazolyl)-N'-phenylurea, 1-(5-methyl-1,2-oxazol-3-yl)-3-phenylurea, 3-(5-methyl-1,2-oxazol-3-yl)-1-phenylurea, BAS 02085666
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 5632-79-1 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)NC2=CC=CC=C2 |
| InChIKey | HFJMOHJJEZDMGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Methylisoxazol-3-yl)-3-phenylurea (CAS 5632-79-1), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 1-(5-methyl-1,2-oxazol-3-yl)-3-phenylurea.
Chemical Property Profile of 1-(5-Methylisoxazol-3-yl)-3-phenylurea
Property Insights of 1-(5-Methylisoxazol-3-yl)-3-phenylurea
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methylisoxazol-3-yl)-3-phenylurea. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Methylisoxazol-3-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(5-Methylisoxazol-3-yl)-3-phenylurea 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-(5-Methylisoxazol-3-yl)-3-phenylurea?
The CAS number of 1-(5-Methylisoxazol-3-yl)-3-phenylurea is 5632-79-1.
What is the molecular formula of 1-(5-Methylisoxazol-3-yl)-3-phenylurea?
The molecular formula of 1-(5-Methylisoxazol-3-yl)-3-phenylurea is C11H11N3O2.
What is the molecular weight of 1-(5-Methylisoxazol-3-yl)-3-phenylurea?
The molecular weight of 1-(5-Methylisoxazol-3-yl)-3-phenylurea is 217.09 g/mol.
Where can I buy 1-(5-Methylisoxazol-3-yl)-3-phenylurea?
You can request a quote for 1-(5-Methylisoxazol-3-yl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methylisoxazol-3-yl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methylisoxazol-3-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.