![N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea structure](/static/products/3352/335210-13-4.webp)
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea
TL;DR: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea (CAS 335210-13-4) is a chemical compound with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-nitrobenzamide
Also Known As: BAS 02760469, N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-nitrobenzamide, N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea, 1-(5-Benzooxazol-2-yl-2-methyl-phenyl)-3-(4-nitro-benzoyl)-thiourea, N-{[(5-benzoxazol-2-yl-2-methylphenyl)amino]thioxomethyl}(4-nitrophenyl)carbox amide
| Molecular Formula | C22H16N4O4S |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 4.83822 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.08923 |
| Heavy Atoms | 31 |
| Complexity | 1281.8524 |
Chemical Identifiers
| CAS Number | 335210-13-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea (CAS 335210-13-4), with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol. IUPAC: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea
Property Insights of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea
The XLogP value of 4.83822 indicates that N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea. Following Lipinski's Rule of Five, N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea has 2 hydrogen bond donor(s) and 6 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-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea?
The CAS number of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea is 335210-13-4.
What is the molecular formula of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea?
The molecular formula of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea is C22H16N4O4S.
What is the molecular weight of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea?
The molecular weight of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea is 432.09 g/mol.
Where can I buy N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea?
You can request a quote for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-{4-nitrobenzoyl}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.