4-(甲氨基)-3-硝基苯甲酸
TL;DR: 4-(甲氨基)-3-硝基苯甲酸 (CAS 41507-56-6) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(甲氨基)-3-硝基苯甲酸
4-(methylamino)-3-nitrobenzoic acid
Also Known As: 4-(methylamino)-3-nitrobenzoic acid, 4-Methylamino-3-nitrobenzoic acid, Dabigatran Impurity 69, 4-Methylamino-3-nitro-benzoic acid, Dabigatran Impurity 46
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 41507-56-6 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | KSMLIIWEQBYUKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(甲氨基)-3-硝基苯甲酸 (CAS 41507-56-6), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 4-(methylamino)-3-nitrobenzoic acid.
Chemical Property Profile of 4-(甲氨基)-3-硝基苯甲酸
Property Insights of 4-(甲氨基)-3-硝基苯甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(甲氨基)-3-硝基苯甲酸. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(甲氨基)-3-硝基苯甲酸. Following Lipinski's Rule of Five, 4-(甲氨基)-3-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 4-(甲氨基)-3-硝基苯甲酸?
The CAS number of 4-(甲氨基)-3-硝基苯甲酸 is 41507-56-6.
What is the molecular formula of 4-(甲氨基)-3-硝基苯甲酸?
The molecular formula of 4-(甲氨基)-3-硝基苯甲酸 is C8H8N2O4.
What is the molecular weight of 4-(甲氨基)-3-硝基苯甲酸?
The molecular weight of 4-(甲氨基)-3-硝基苯甲酸 is 196.05 g/mol.
Where can I buy 4-(甲氨基)-3-硝基苯甲酸?
You can request a quote for 4-(甲氨基)-3-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 4-(甲氨基)-3-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(甲氨基)-3-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.