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N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
TL;DR: N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide (CAS 333739-28-9) is a chemical compound with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: BAS 02820028, N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide, 4-methoxy-3-nitro-N-({4-[(phenylcarbonyl)amino]phenyl}carbamothioyl)benzamide, N-{4-[3-(4-Methoxy-3-nitro-benzoyl)-thioureido]-phenyl}-benzamide, N-(4-{[({3-nitro-4-methoxybenzoyl}amino)carbothioyl]amino}phenyl)benzamide
| Molecular Formula | C22H18N4O5S |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 3.9825 |
| Topological Polar Surface Area | 122.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.0998 |
| Heavy Atoms | 32 |
| Complexity | 1166.6985 |
Chemical Identifiers
| CAS Number | 333739-28-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide (CAS 333739-28-9), with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol. IUPAC: N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Property Insights of N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
The XLogP value of 3.9825 indicates that N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide has 3 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-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
The CAS number of N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide is 333739-28-9.
What is the molecular formula of N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
The molecular formula of N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide is C22H18N4O5S.
What is the molecular weight of N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
The molecular weight of N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide is 450.10 g/mol.
Where can I buy N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
You can request a quote for N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-benzamidophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.