![4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid structure](/static/products/1009/100900-25-2.webp)
4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid
TL;DR: 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid (CAS 100900-25-2) is a chemical compound with molecular formula C13H11N5O2 and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid
Also Known As: 4-[(5-amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid, 4-[N-(2-Amino-3-cyano-5-pyrazinylmethyl)amino]benzoic acid, 4-(N-(2-AMINO-3-CYANO-5-PYRAZINYLMETHYL)-AMINO)BENZOIC ACID), 4-[(2-Amino-3-cyanopyrazin-5-ylmethyl)amino]benzoic acid, 4-[(5-amino-6-cyano-pyrazin-2-yl)methylamino]benzoic Acid
| Molecular Formula | C13H11N5O2 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 1.24078 |
| Topological Polar Surface Area | 124.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.09128 |
| Heavy Atoms | 20 |
| Complexity | 676.1511 |
Chemical Identifiers
| CAS Number | 100900-25-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NCC2=CN=C(C(=N2)C#N)N |
Product Overview
4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid (CAS 100900-25-2), with molecular formula C13H11N5O2 and molecular weight 269.09 g/mol. IUPAC: 4-[(5-amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid.
Chemical Property Profile of 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid
Property Insights of 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid
The XLogP value of 1.24078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid. The TPSA of 124.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid has 3 hydrogen bond donor(s) and 6 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-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid?
The CAS number of 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid is 100900-25-2.
What is the molecular formula of 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid?
The molecular formula of 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid is C13H11N5O2.
What is the molecular weight of 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid?
The molecular weight of 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid is 269.09 g/mol.
Where can I buy 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid?
You can request a quote for 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5-Amino-6-cyanopyrazin-2-yl)methylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.