1-Benzyl-3-(5-methylisoxazol-3-yl)urea
TL;DR: 1-Benzyl-3-(5-methylisoxazol-3-yl)urea (CAS 791817-34-0) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(5-methyl-1,2-oxazol-3-yl)urea
Also Known As: 1-benzyl-3-(5-methylisoxazol-3-yl)urea, 3-benzyl-1-(5-methyl-3-isoxazolyl)urea, 1-benzyl-3-(5-methyl-1,2-oxazol-3-yl)urea, F3208-0013, N-(5-methylisoxazol-3-yl)[benzylamino]carboxamide
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.30472 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 493.46167 |
Chemical Identifiers
| CAS Number | 791817-34-0 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)NCC2=CC=CC=C2 |
Product Overview
1-Benzyl-3-(5-methylisoxazol-3-yl)urea (CAS 791817-34-0), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 1-benzyl-3-(5-methyl-1,2-oxazol-3-yl)urea.
Chemical Property Profile of 1-Benzyl-3-(5-methylisoxazol-3-yl)urea
Property Insights of 1-Benzyl-3-(5-methylisoxazol-3-yl)urea
The XLogP value of 2.30472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-(5-methylisoxazol-3-yl)urea. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-(5-methylisoxazol-3-yl)urea. Following Lipinski's Rule of Five, 1-Benzyl-3-(5-methylisoxazol-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-Benzyl-3-(5-methylisoxazol-3-yl)urea?
The CAS number of 1-Benzyl-3-(5-methylisoxazol-3-yl)urea is 791817-34-0.
What is the molecular formula of 1-Benzyl-3-(5-methylisoxazol-3-yl)urea?
The molecular formula of 1-Benzyl-3-(5-methylisoxazol-3-yl)urea is C12H13N3O2.
What is the molecular weight of 1-Benzyl-3-(5-methylisoxazol-3-yl)urea?
The molecular weight of 1-Benzyl-3-(5-methylisoxazol-3-yl)urea is 231.10 g/mol.
Where can I buy 1-Benzyl-3-(5-methylisoxazol-3-yl)urea?
You can request a quote for 1-Benzyl-3-(5-methylisoxazol-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-Benzyl-3-(5-methylisoxazol-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(5-methylisoxazol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.