N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea
TL;DR: N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea (CAS 55807-80-2) 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-(5-methyl-1,2-oxazol-3-yl)-3-(3-methylphenyl)urea
Also Known As: N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea, SDCCGMLS-0044559.P002, BAS 09079842, 1-(5-methyl-1,2-oxazol-3-yl)-3-(3-methylphenyl)urea, 1-(5-Methyl-isoxazol-3-yl)-3-m-tolyl-urea
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 55807-80-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)NC2=NOC(=C2)C |
| InChIKey | WTCJAYUONBRKOC-UHFFFAOYSA-N |
Product Overview
N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea (CAS 55807-80-2), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 1-(5-methyl-1,2-oxazol-3-yl)-3-(3-methylphenyl)urea.
Chemical Property Profile of N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea
Property Insights of N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea. Following Lipinski's Rule of Five, N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)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 N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea?
The CAS number of N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea is 55807-80-2.
What is the molecular formula of N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea?
The molecular formula of N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea is C12H13N3O2.
What is the molecular weight of N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea?
The molecular weight of N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea is 231.10 g/mol.
Where can I buy N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea?
You can request a quote for N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(5-methyl-3-isoxazolyl)-N'-(3-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.