N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide
TL;DR: N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide (CAS 640246-93-1) is a chemical compound with molecular formula C18H17N5O5S2 and molecular weight 447.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide, N-({4-[(acetylcarbamothioyl)amino]phenyl}carbamothioyl)-4-methoxy-3-nitrobenzamide, N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide, N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide
| Molecular Formula | C18H17N5O5S2 |
|---|---|
| Molecular Weight | 447.07 g/mol |
| LogP | 2.5631 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.0671 |
| Heavy Atoms | 30 |
| Complexity | 1010.52673 |
Chemical Identifiers
| CAS Number | 640246-93-1 |
|---|---|
| SMILES | CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] |
Product Overview
N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide (CAS 640246-93-1), with molecular formula C18H17N5O5S2 and molecular weight 447.07 g/mol. IUPAC: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide
Property Insights of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide
The XLogP value of 2.5631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide. The TPSA of 134.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide has 4 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-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide?
The CAS number of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide is 640246-93-1.
What is the molecular formula of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide?
The molecular formula of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide is C18H17N5O5S2.
What is the molecular weight of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide?
The molecular weight of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide is 447.07 g/mol.
Where can I buy N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide?
You can request a quote for N-((4-(3-acetylthioureido)phenyl)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-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.