![N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide structure](/static/products/7019/701945-93-9.webp)
N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide
TL;DR: N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide (CAS 701945-93-9) is a chemical compound with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide
Also Known As: N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide, N-benzyl-3-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzamide, N-benzyl-3-{[(2-methoxy-4-nitrophenyl)carbamothioyl]amino}benzamide, [3-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)phenyl]-N-benzylcarbox amide
| Molecular Formula | C22H20N4O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 4.3423 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.1205 |
| Heavy Atoms | 31 |
| Complexity | 1105.6748 |
Chemical Identifiers
| CAS Number | 701945-93-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3 |
Product Overview
N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide (CAS 701945-93-9), with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol. IUPAC: N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide.
Chemical Property Profile of N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide
Property Insights of N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide
The XLogP value of 4.3423 indicates that N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide. Following Lipinski's Rule of Five, N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide has 3 hydrogen bond donor(s) and 5 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-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide?
The CAS number of N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide is 701945-93-9.
What is the molecular formula of N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide?
The molecular formula of N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide is C22H20N4O4S.
What is the molecular weight of N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide?
The molecular weight of N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide is 436.12 g/mol.
Where can I buy N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide?
You can request a quote for N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.