![N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide structure](/static/products/3334/333419-71-9.webp)
N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide
TL;DR: N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide (CAS 333419-71-9) is a chemical compound with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide
Also Known As: N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide, BAS 02760271, N-(4-butylphenyl)-N'-{4-nitrobenzoyl}thiourea, 1-(4-Butyl-phenyl)-3-(4-nitro-benzoyl)-thiourea, N-{[(4-butylphenyl)amino]thioxomethyl}(4-nitrophenyl)carboxamide
| Molecular Formula | C18H19N3O3S |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 4.0642 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.11472 |
| Heavy Atoms | 25 |
| Complexity | 758.1407 |
Chemical Identifiers
| CAS Number | 333419-71-9 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide (CAS 333419-71-9), with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol. IUPAC: N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide
Property Insights of N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide
The XLogP value of 4.0642 indicates that N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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-butylphenyl)carbamothioyl]-4-nitrobenzamide?
The CAS number of N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide is 333419-71-9.
What is the molecular formula of N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide?
The molecular formula of N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide is C18H19N3O3S.
What is the molecular weight of N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide?
The molecular weight of N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide is 357.11 g/mol.
Where can I buy N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide?
You can request a quote for N-[(4-butylphenyl)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 N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-butylphenyl)carbamothioyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.