![4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid structure](/static/products/890/890976-62-2.png)
4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid
TL;DR: 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid (CAS 890976-62-2) is a chemical compound with molecular formula C16H14N2O6 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid
Also Known As: 4-{[(4-methyl-2-nitrophenoxy)acetyl]amino}benzoic acid, 4-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic Acid
| Molecular Formula | C16H14N2O6 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 2.61892 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.08517 |
| Heavy Atoms | 24 |
| Complexity | 785.65466 |
Chemical Identifiers
| CAS Number | 890976-62-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid (CAS 890976-62-2), with molecular formula C16H14N2O6 and molecular weight 330.09 g/mol. IUPAC: 4-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid.
Chemical Property Profile of 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid
Property Insights of 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid
The XLogP value of 2.61892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 5 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-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid?
The CAS number of 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid is 890976-62-2.
What is the molecular formula of 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid?
The molecular formula of 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid is C16H14N2O6.
What is the molecular weight of 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid?
The molecular weight of 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid is 330.09 g/mol.
Where can I buy 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid?
You can request a quote for 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}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-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-Methyl-2-nitrophenoxy)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.