N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea
TL;DR: N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea (CAS 32868-57-8) 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-chloro-3-methyl-1,2-oxazol-5-yl)-3-phenylurea
Also Known As: N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea, 3-(4-chloro-3-methyl-1,2-oxazol-5-yl)-1-phenylurea, 1-(4-chloro-3-methyl-1,2-oxazol-5-yl)-3-phenylurea, 9M-029, 1-(4-chloro-3-methyl-isoxazol-5-yl)-3-phenyl-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 | 524.76776 |
Chemical Identifiers
| CAS Number | 32868-57-8 |
|---|---|
| SMILES | CC1=NOC(=C1Cl)NC(=O)NC2=CC=CC=C2 |
Product Overview
N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea (CAS 32868-57-8), with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol. IUPAC: 1-(4-chloro-3-methyl-1,2-oxazol-5-yl)-3-phenylurea.
Chemical Property Profile of N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea
Property Insights of N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea
The XLogP value of 3.28042 indicates that N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea 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 N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea. Following Lipinski's Rule of Five, N-(4-chloro-3-methyl-5-isoxazolyl)-N'-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 N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea?
The CAS number of N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea is 32868-57-8.
What is the molecular formula of N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea?
The molecular formula of N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea is C11H10ClN3O2.
What is the molecular weight of N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea?
The molecular weight of N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea is 251.05 g/mol.
Where can I buy N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea?
You can request a quote for N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-3-methyl-5-isoxazolyl)-N'-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.