5-(乙酰氨基)-2-硝基苯甲酸
TL;DR: 5-(乙酰氨基)-2-硝基苯甲酸 (CAS 4368-83-6) is a chemical compound with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(乙酰氨基)-2-硝基苯甲酸
5-acetamido-2-nitrobenzoic acid
Also Known As: 5-Acetamido-2-nitrobenzoic acid, 5-Acetylamino-2-nitrobenzoic acid, 2-Nitro-5-acetylaminobenzoic acid, Benzoic acid, 5-(acetylamino)-2-nitro-, 5-(acetylamino)-2-nitrobenzoic acid
| Molecular Formula | C9H8N2O5 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.04332 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 4368-83-6 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | ZSHFMOUMOUOGKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(乙酰氨基)-2-硝基苯甲酸 (CAS 4368-83-6), with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol. IUPAC: 5-acetamido-2-nitrobenzoic acid.
Chemical Property Profile of 5-(乙酰氨基)-2-硝基苯甲酸
Property Insights of 5-(乙酰氨基)-2-硝基苯甲酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(乙酰氨基)-2-硝基苯甲酸. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(乙酰氨基)-2-硝基苯甲酸. Following Lipinski's Rule of Five, 5-(乙酰氨基)-2-硝基苯甲酸 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 5-(乙酰氨基)-2-硝基苯甲酸?
The CAS number of 5-(乙酰氨基)-2-硝基苯甲酸 is 4368-83-6.
What is the molecular formula of 5-(乙酰氨基)-2-硝基苯甲酸?
The molecular formula of 5-(乙酰氨基)-2-硝基苯甲酸 is C9H8N2O5.
What is the molecular weight of 5-(乙酰氨基)-2-硝基苯甲酸?
The molecular weight of 5-(乙酰氨基)-2-硝基苯甲酸 is 224.04 g/mol.
Where can I buy 5-(乙酰氨基)-2-硝基苯甲酸?
You can request a quote for 5-(乙酰氨基)-2-硝基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(乙酰氨基)-2-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-(乙酰氨基)-2-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.