![3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid structure](/static/products/3619/361986-58-5.webp)
3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
TL;DR: 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid (CAS 361986-58-5) 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.
3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
Also Known As: 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid, 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid, BAS 02226405, 3-((1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoic acid, AJ-292/40763145
| Molecular Formula | C13H11N5O2 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 1.8051 |
| Topological Polar Surface Area | 92.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.09128 |
| Heavy Atoms | 20 |
| Complexity | 796.3108 |
Chemical Identifiers
| CAS Number | 361986-58-5 |
|---|---|
| SMILES | CN1C2=NC=NC(=C2C=N1)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid (CAS 361986-58-5), with molecular formula C13H11N5O2 and molecular weight 269.09 g/mol. IUPAC: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid.
Chemical Property Profile of 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
Property Insights of 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
The XLogP value of 1.8051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid. The TPSA of 92.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)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-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
The CAS number of 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid is 361986-58-5.
What is the molecular formula of 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
The molecular formula of 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid is C13H11N5O2.
What is the molecular weight of 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
The molecular weight of 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid is 269.09 g/mol.
Where can I buy 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
You can request a quote for 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)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-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.