![3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide structure](/static/products/4620/462083-74-5.webp)
3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide
TL;DR: 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide (CAS 462083-74-5) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-nitrobenzamide
Also Known As: 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide, 3-methyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-nitrobenzamide, 2-METHYL-N-[3-({[(3-METHYL-4-NITROPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)PHENYL]PROPANAMIDE
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 3.62452 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 943.2809 |
Chemical Identifiers
| CAS Number | 462083-74-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C)[N+](=O)[O-] |
Product Overview
3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide (CAS 462083-74-5), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: 3-methyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide
Property Insights of 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide
The XLogP value of 3.62452 indicates that 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide 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 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide?
The CAS number of 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide is 462083-74-5.
What is the molecular formula of 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide?
The molecular formula of 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide is C19H20N4O4S.
What is the molecular weight of 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide?
The molecular weight of 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide is 400.12 g/mol.
Where can I buy 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide?
You can request a quote for 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}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 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.