N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea
TL;DR: N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea (CAS 240799-55-7) is a chemical compound with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
Also Known As: N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea, Bionet1_001656, 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea, 1,3-bis(5-methyl-3-phenyl-isoxazol-4-yl)urea, N,Na(2)-Bis(5-methyl-3-phenyl-4-isoxazolyl)urea
| Molecular Formula | C21H18N4O3 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 5.25744 |
| Topological Polar Surface Area | 93.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.13788 |
| Heavy Atoms | 28 |
| Complexity | 1013.6533 |
Chemical Identifiers
| CAS Number | 240799-55-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)NC(=O)NC3=C(ON=C3C4=CC=CC=C4)C |
Product Overview
N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea (CAS 240799-55-7), with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol. IUPAC: 1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea.
Chemical Property Profile of N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea
Property Insights of N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea
The XLogP value of 5.25744 indicates that N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea. Following Lipinski's Rule of Five, N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea?
The CAS number of N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea is 240799-55-7.
What is the molecular formula of N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea?
The molecular formula of N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea is C21H18N4O3.
What is the molecular weight of N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea?
The molecular weight of N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea is 374.14 g/mol.
Where can I buy N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea?
You can request a quote for N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N,N'-bis(5-methyl-3-phenyl-4-isoxazolyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.