6-硝基-3-苯乙酰氨基苯甲酸
TL;DR: 6-硝基-3-苯乙酰氨基苯甲酸 (CAS 5468-90-6) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-硝基-3-苯乙酰氨基苯甲酸
2-nitro-5-[(2-phenylacetyl)amino]benzoic acid
Also Known As: NIPAB, 2-Nitro-5-[(phenylacetyl)amino]benzoic acid, 2-Nitro-5-(phenylacetylamino)-benzoic acid, 2-Nitro-5-(2-phenylacetamido)benzoic acid, 6-Nitro-3-phenylacetamidobenzoic acid
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 5468-90-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | QHVQEQRGDKOHHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-硝基-3-苯乙酰氨基苯甲酸 (CAS 5468-90-6), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: 2-nitro-5-[(2-phenylacetyl)amino]benzoic acid.
Chemical Property Profile of 6-硝基-3-苯乙酰氨基苯甲酸
Property Insights of 6-硝基-3-苯乙酰氨基苯甲酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-硝基-3-苯乙酰氨基苯甲酸. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-硝基-3-苯乙酰氨基苯甲酸. Following Lipinski's Rule of Five, 6-硝基-3-苯乙酰氨基苯甲酸 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 6-硝基-3-苯乙酰氨基苯甲酸?
The CAS number of 6-硝基-3-苯乙酰氨基苯甲酸 is 5468-90-6.
What is the molecular formula of 6-硝基-3-苯乙酰氨基苯甲酸?
The molecular formula of 6-硝基-3-苯乙酰氨基苯甲酸 is C15H12N2O5.
What is the molecular weight of 6-硝基-3-苯乙酰氨基苯甲酸?
The molecular weight of 6-硝基-3-苯乙酰氨基苯甲酸 is 300.07 g/mol.
Where can I buy 6-硝基-3-苯乙酰氨基苯甲酸?
You can request a quote for 6-硝基-3-苯乙酰氨基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-硝基-3-苯乙酰氨基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 6-硝基-3-苯乙酰氨基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.