![N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide structure](/static/products/4304/430444-83-0.webp)
N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide
TL;DR: N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide (CAS 430444-83-0) is a chemical compound with molecular formula C26H26N4O4S and molecular weight 490.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
Also Known As: N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide, N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide, 2-methyl-3-nitro-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]benzamide
| Molecular Formula | C26H26N4O4S |
|---|---|
| Molecular Weight | 490.17 g/mol |
| LogP | 5.57982 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.16748 |
| Heavy Atoms | 35 |
| Complexity | 1280.1991 |
Chemical Identifiers
| CAS Number | 430444-83-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide (CAS 430444-83-0), with molecular formula C26H26N4O4S and molecular weight 490.17 g/mol. IUPAC: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide
Property Insights of N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide
The XLogP value of 5.57982 indicates that N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-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 N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide?
The CAS number of N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide is 430444-83-0.
What is the molecular formula of N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide?
The molecular formula of N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide is C26H26N4O4S.
What is the molecular weight of N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide?
The molecular weight of N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide is 490.17 g/mol.
Where can I buy N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide?
You can request a quote for N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-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-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-{[(4-tert-butylphenyl)carbonyl]amino}phenyl)carbamothioyl]-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.