![4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid structure](/static/products/5315/531540-46-2.webp)
4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
TL;DR: 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 531540-46-2) is a chemical compound with molecular formula C16H13N3O6S and molecular weight 375.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 4-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid, 4-({[(2-Nitrophenoxy)acetyl]carbamothioyl}amino)benzoic acid, 4-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 4-[[2-(2-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 4-[[[[(2-NITROPHENOXY)ACETYL ]AMINO]THIOXOMETHYL ]AMINO]-BENZOIC ACID
| Molecular Formula | C16H13N3O6S |
|---|---|
| Molecular Weight | 375.05 g/mol |
| LogP | 2.185 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.05252 |
| Heavy Atoms | 26 |
| Complexity | 853.31854 |
Chemical Identifiers
| CAS Number | 531540-46-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 531540-46-2), with molecular formula C16H13N3O6S and molecular weight 375.05 g/mol. IUPAC: 4-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
Property Insights of 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
The XLogP value of 2.185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[[2-(2-Nitrophenoxy)acetyl]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 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The CAS number of 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is 531540-46-2.
What is the molecular formula of 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular formula of 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is C16H13N3O6S.
What is the molecular weight of 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular weight of 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid is 375.05 g/mol.
Where can I buy 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
You can request a quote for 4-[[2-(2-Nitrophenoxy)acetyl]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 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-(2-Nitrophenoxy)acetyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.