3-(己酰氨基)-5-硝基苯甲酸
TL;DR: 3-(己酰氨基)-5-硝基苯甲酸 (CAS 501361-57-5) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(己酰氨基)-5-硝基苯甲酸
3-(hexanoylamino)-5-nitrobenzoic acid
Also Known As: 3-(hexanoylamino)-5-nitrobenzoic acid, Benzoic acid, 3-nitro-5-[(1-oxohexyl)amino]-
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 501361-57-5 |
|---|---|
| SMILES | CCCCCC(=O)NC1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | ALFUWTMQHVVFGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(己酰氨基)-5-硝基苯甲酸 (CAS 501361-57-5), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: 3-(hexanoylamino)-5-nitrobenzoic acid.
Chemical Property Profile of 3-(己酰氨基)-5-硝基苯甲酸
Property Insights of 3-(己酰氨基)-5-硝基苯甲酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(己酰氨基)-5-硝基苯甲酸. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(己酰氨基)-5-硝基苯甲酸. Following Lipinski's Rule of Five, 3-(己酰氨基)-5-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 3-(己酰氨基)-5-硝基苯甲酸?
The CAS number of 3-(己酰氨基)-5-硝基苯甲酸 is 501361-57-5.
What is the molecular formula of 3-(己酰氨基)-5-硝基苯甲酸?
The molecular formula of 3-(己酰氨基)-5-硝基苯甲酸 is C13H16N2O5.
What is the molecular weight of 3-(己酰氨基)-5-硝基苯甲酸?
The molecular weight of 3-(己酰氨基)-5-硝基苯甲酸 is 280.11 g/mol.
Where can I buy 3-(己酰氨基)-5-硝基苯甲酸?
You can request a quote for 3-(己酰氨基)-5-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 3-(己酰氨基)-5-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(己酰氨基)-5-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.