![N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide structure](/static/products/4284/428490-78-2.webp)
N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide
TL;DR: N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide (CAS 428490-78-2) 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-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide
Also Known As: AB00108719-01, N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide, N-{[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-nitrobenzamide, N-[[2-(4-methylphenyl)benzooxazol-5-yl]thiocarbamoyl]-2-nitro-benzamide
| 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 | 1314.8524 |
Chemical Identifiers
| CAS Number | 428490-78-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide (CAS 428490-78-2), with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol. IUPAC: N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide
Property Insights of N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide
The XLogP value of 4.83822 indicates that N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide 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-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide 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-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide?
The CAS number of N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide is 428490-78-2.
What is the molecular formula of N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide?
The molecular formula of N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide is C22H16N4O4S.
What is the molecular weight of N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide?
The molecular weight of N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide is 432.09 g/mol.
Where can I buy N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide?
You can request a quote for N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.