N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea
TL;DR: N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea (CAS 333739-50-7) is a chemical compound with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-acetylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: BAS 02820092, N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea, N-[(3-acetylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide, 1-(3-Acetyl-phenyl)-3-(4-methoxy-3-nitro-benzoyl)-thiourea, N-{[(3-acetylphenyl)amino]thioxomethyl}(4-methoxy-3-nitrophenyl)carboxamide
| Molecular Formula | C17H15N3O5S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 2.9328 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.07324 |
| Heavy Atoms | 26 |
| Complexity | 897.7171 |
Chemical Identifiers
| CAS Number | 333739-50-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] |
Product Overview
N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea (CAS 333739-50-7), with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol. IUPAC: N-[(3-acetylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea
Property Insights of N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea
The XLogP value of 2.9328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea. Following Lipinski's Rule of Five, N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}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-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea?
The CAS number of N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea is 333739-50-7.
What is the molecular formula of N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea?
The molecular formula of N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea is C17H15N3O5S.
What is the molecular weight of N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea?
The molecular weight of N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea is 373.07 g/mol.
Where can I buy N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea?
You can request a quote for N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-acetylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.