![3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid structure](/static/products/4336/433698-32-9.webp)
3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
TL;DR: 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433698-32-9) is a chemical compound with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-[[[ AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOICACID, 3-[3-(4-ethoxy-3-nitro-benzoyl)-thioureido]-4-methyl-benzoic acid, 3-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-4-methyl-benzoic Acid, 3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoic acid, 3-({[(4-ethoxy-3-nitrobenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid
| Molecular Formula | C18H17N3O6S |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 3.12692 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0838 |
| Heavy Atoms | 28 |
| Complexity | 960.3323 |
Chemical Identifiers
| CAS Number | 433698-32-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C)[N+](=O)[O-] |
Product Overview
3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433698-32-9), with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol. IUPAC: 3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
Property Insights of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
The XLogP value of 3.12692 indicates that 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid has 3 hydrogen bond donor(s) and 6 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-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The CAS number of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 433698-32-9.
What is the molecular formula of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular formula of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is C18H17N3O6S.
What is the molecular weight of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular weight of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 403.08 g/mol.
Where can I buy 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
You can request a quote for 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.