![3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid structure](/static/products/5329/532947-75-4.webp)
3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
TL;DR: 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid (CAS 532947-75-4) is a chemical compound with molecular formula C19H13N3O6S and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
Also Known As: 3-[[[[[5-2-furanyl]carbonyl]amino]thioxomethyl]amino]-benzoicacid, 3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid, 3-[[5-(3-nitrophenyl)furan-2-carbonyl]thiocarbamoylamino]benzoic Acid, 3-[[[[[5- -2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3-[[[[[5-(3-Nitrophenyl)-2-furanyl ]carbonyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C19H13N3O6S |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | 3.6798 |
| Topological Polar Surface Area | 134.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.05252 |
| Heavy Atoms | 29 |
| Complexity | 1124.3921 |
Chemical Identifiers
| CAS Number | 532947-75-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid (CAS 532947-75-4), with molecular formula C19H13N3O6S and molecular weight 411.05 g/mol. IUPAC: 3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
Property Insights of 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
The XLogP value of 3.6798 indicates that 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic 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-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid?
The CAS number of 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid is 532947-75-4.
What is the molecular formula of 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid?
The molecular formula of 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid is C19H13N3O6S.
What is the molecular weight of 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid?
The molecular weight of 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid is 411.05 g/mol.
Where can I buy 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid?
You can request a quote for 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.