![3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid structure](/static/products/4352/435290-87-2.webp)
3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
TL;DR: 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid (CAS 435290-87-2) is a chemical compound with molecular formula C18H17N3O7S and molecular weight 419.08 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-methoxybenzoic acid
Also Known As: 3-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic Acid, 3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-4-methoxybenzoic acid, 3-[3-(4-Ethoxy-3-nitro-benzoyl)-thioureido]-4-methoxy-benzoic acid, 3-({[(4-ethoxy-3-nitrobenzoyl)amino]carbonothioyl}amino)-4-methoxybenzoic acid, 3-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
| Molecular Formula | C18H17N3O7S |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 2.8271 |
| Topological Polar Surface Area | 140.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.07874 |
| Heavy Atoms | 29 |
| Complexity | 977.92224 |
Chemical Identifiers
| CAS Number | 435290-87-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC)[N+](=O)[O-] |
Product Overview
3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid (CAS 435290-87-2), with molecular formula C18H17N3O7S and molecular weight 419.08 g/mol. IUPAC: 3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-4-methoxybenzoic acid.
Chemical Property Profile of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
Property Insights of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
The XLogP value of 2.8271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid. The TPSA of 140.03 Ų indicates high polarity, suggesting 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid has 3 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 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
The CAS number of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is 435290-87-2.
What is the molecular formula of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
The molecular formula of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is C18H17N3O7S.
What is the molecular weight of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
The molecular weight of 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid is 419.08 g/mol.
Where can I buy 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid?
You can request a quote for 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic 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-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.