3,5-Diacetamido-2-nitrobenzoic acid
TL;DR: 3,5-Diacetamido-2-nitrobenzoic acid (CAS 54002-29-8) is a chemical compound with molecular formula C11H11N3O6 and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diacetamido-2-nitrobenzoic acid
Also Known As: 3,5-diacetamido-2-nitrobenzoic acid, 3,5-BIS(ACETYLAMINO)-2-NITRO-BENZOIC ACID, 3,5-diacetamido-2-nitro-benzoic Acid, 3,5-di(acetylamino)-2-nitrobenzoic acid, Benzoic acid,3,5-bis(acetylamino)-2-nitro
| Molecular Formula | C11H11N3O6 |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 1.2098 |
| Topological Polar Surface Area | 138.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0648 |
| Heavy Atoms | 20 |
| Complexity | 610.4212 |
Chemical Identifiers
| CAS Number | 54002-29-8 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C(=C1)NC(=O)C)[N+](=O)[O-])C(=O)O |
Product Overview
3,5-Diacetamido-2-nitrobenzoic acid (CAS 54002-29-8), with molecular formula C11H11N3O6 and molecular weight 281.06 g/mol. IUPAC: 3,5-diacetamido-2-nitrobenzoic acid.
Chemical Property Profile of 3,5-Diacetamido-2-nitrobenzoic acid
Property Insights of 3,5-Diacetamido-2-nitrobenzoic acid
The XLogP value of 1.2098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diacetamido-2-nitrobenzoic acid. The TPSA of 138.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diacetamido-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3,5-Diacetamido-2-nitrobenzoic 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 3,5-Diacetamido-2-nitrobenzoic acid?
The CAS number of 3,5-Diacetamido-2-nitrobenzoic acid is 54002-29-8.
What is the molecular formula of 3,5-Diacetamido-2-nitrobenzoic acid?
The molecular formula of 3,5-Diacetamido-2-nitrobenzoic acid is C11H11N3O6.
What is the molecular weight of 3,5-Diacetamido-2-nitrobenzoic acid?
The molecular weight of 3,5-Diacetamido-2-nitrobenzoic acid is 281.06 g/mol.
Where can I buy 3,5-Diacetamido-2-nitrobenzoic acid?
You can request a quote for 3,5-Diacetamido-2-nitrobenzoic 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-Diacetamido-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diacetamido-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.