![4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide structure](/static/products/3473/347333-91-9.webp)
4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
TL;DR: 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide (CAS 347333-91-9) is a chemical compound with molecular formula C27H18N4O4S and molecular weight 494.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
Also Known As: 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide, N-{[2-(biphenyl-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-nitrobenzamide, 4-nitro-N-[[2-(4-phenylphenyl)benzooxazol-5-yl]thiocarbamoyl]benzamide
| Molecular Formula | C27H18N4O4S |
|---|---|
| Molecular Weight | 494.10 g/mol |
| LogP | 6.1968 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.1049 |
| Heavy Atoms | 36 |
| Complexity | 1580.5032 |
Chemical Identifiers
| CAS Number | 347333-91-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide (CAS 347333-91-9), with molecular formula C27H18N4O4S and molecular weight 494.10 g/mol. IUPAC: 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
Property Insights of 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
The XLogP value of 6.1968 indicates that 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide 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 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
The CAS number of 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide is 347333-91-9.
What is the molecular formula of 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
The molecular formula of 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide is C27H18N4O4S.
What is the molecular weight of 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
The molecular weight of 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide is 494.10 g/mol.
Where can I buy 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
You can request a quote for 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.