![N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide structure](/static/products/6311/6311-75-7.webp)
N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
TL;DR: N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide (CAS 6311-75-7) is a chemical compound with molecular formula C22H16N4O5S and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
Also Known As: BAS 02760402, N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide, N-{4-nitrobenzoyl}-N'-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiourea, 1-[2-(3-Methoxy-phenyl)-benzooxazol-5-yl]-3-(4-nitro-benzoyl)-thiourea, N-({[2-(3-methoxyphenyl)benzoxazol-5-yl]amino}thioxomethyl)(4-nitrophenyl)carb oxamide
| Molecular Formula | C22H16N4O5S |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 4.5384 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.08414 |
| Heavy Atoms | 32 |
| Complexity | 1333.9211 |
Chemical Identifiers
| CAS Number | 6311-75-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide (CAS 6311-75-7), with molecular formula C22H16N4O5S and molecular weight 448.08 g/mol. IUPAC: N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
Property Insights of N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
The XLogP value of 4.5384 indicates that N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide has 2 hydrogen bond donor(s) and 7 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-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
The CAS number of N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is 6311-75-7.
What is the molecular formula of N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
The molecular formula of N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is C22H16N4O5S.
What is the molecular weight of N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
The molecular weight of N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is 448.08 g/mol.
Where can I buy N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
You can request a quote for N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-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-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.