4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid
TL;DR: 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid (CAS 342045-62-9) is a chemical compound with molecular formula C10H8N2O7 and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-6-nitrobenzene-1,3-dicarboxylic acid
Also Known As: 4-acetamido-6-nitrobenzene-1,3-dicarboxylic acid, 6-Nitro-4-acetamino-isophthalsaeure, 4-(acetylamino)-6-nitroisophthalic acid, 4-(ACETYLAMINO)-6-NITRO-1,3-BENZENEDICARBOXYLIC ACID, 1,3-Benzenedicarboxylicacid, 4-(acetylamino)-6-nitro-
| Molecular Formula | C10H8N2O7 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 0.9496 |
| Topological Polar Surface Area | 146.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.03314 |
| Heavy Atoms | 19 |
| Complexity | 593.78613 |
Chemical Identifiers
| CAS Number | 342045-62-9 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1C(=O)O)C(=O)O)[N+](=O)[O-] |
Product Overview
4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid (CAS 342045-62-9), with molecular formula C10H8N2O7 and molecular weight 268.03 g/mol. IUPAC: 4-acetamido-6-nitrobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid
Property Insights of 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid
The XLogP value of 0.9496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid. The TPSA of 146.84 Ų indicates high polarity, suggesting 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid has 3 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-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid?
The CAS number of 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid is 342045-62-9.
What is the molecular formula of 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid?
The molecular formula of 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid is C10H8N2O7.
What is the molecular weight of 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid?
The molecular weight of 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid is 268.03 g/mol.
Where can I buy 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid?
You can request a quote for 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.