4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid
TL;DR: 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid (CAS 162252-45-1) is a chemical compound with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-3-hydroxy-5-nitrobenzoic acid
Also Known As: 4-acetamido-3-hydroxy-5-nitrobenzoic acid, 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid, BANA105, 4-Acetamido-3-hydroxy-5-nitrobenzoicacid, 8224AA
| Molecular Formula | C9H8N2O6 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 0.957 |
| Topological Polar Surface Area | 129.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.03824 |
| Heavy Atoms | 17 |
| Complexity | 510.4527 |
Chemical Identifiers
| CAS Number | 162252-45-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1O)C(=O)O)[N+](=O)[O-] |
Product Overview
4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid (CAS 162252-45-1), with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol. IUPAC: 4-acetamido-3-hydroxy-5-nitrobenzoic acid.
Chemical Property Profile of 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid
Property Insights of 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid
The XLogP value of 0.957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid. The TPSA of 129.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(Acetylamino)-3-hydroxy-5-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 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid?
The CAS number of 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid is 162252-45-1.
What is the molecular formula of 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid?
The molecular formula of 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid is C9H8N2O6.
What is the molecular weight of 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid?
The molecular weight of 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid is 240.04 g/mol.
Where can I buy 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid?
You can request a quote for 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.