![3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid structure](/static/products/3848/384855-46-3.webp)
3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid
TL;DR: 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid (CAS 384855-46-3) is a chemical compound with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(pyridin-3-ylmethylamino)benzoic acid
Also Known As: 3-nitro-4-[(3-pyridinylmethyl)amino]benzoic acid, 3-nitro-4-[(pyridin-3-ylmethyl)amino]benzoic acid, 3-nitro-4-(pyridin-3-ylmethylamino)benzoic acid, 3-nitro-4-(3-pyridylmethylamino)benzoic acid, 3-nitro-4-[(3-pyridinylmethyl)amino]benzoicacid
| Molecular Formula | C13H11N3O4 |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 2.3001 |
| Topological Polar Surface Area | 105.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.07495 |
| Heavy Atoms | 20 |
| Complexity | 643.31946 |
Chemical Identifiers
| CAS Number | 384855-46-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid (CAS 384855-46-3), with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol. IUPAC: 3-nitro-4-(pyridin-3-ylmethylamino)benzoic acid.
Chemical Property Profile of 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid
Property Insights of 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid
The XLogP value of 2.3001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid. The TPSA of 105.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid 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-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid?
The CAS number of 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid is 384855-46-3.
What is the molecular formula of 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid?
The molecular formula of 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid is C13H11N3O4.
What is the molecular weight of 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid?
The molecular weight of 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid is 273.07 g/mol.
Where can I buy 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid?
You can request a quote for 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.