![4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid structure](/static/products/3333/333324-93-9.webp)
4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
TL;DR: 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid (CAS 333324-93-9) is a chemical compound with molecular formula C18H13N5O2 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
Also Known As: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid, 4-((1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoic acid, 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid, 4-[(7-phenyl-3,5,7,8-tetrazabicyclo[4.3.0]nona-1,3,5,8-tetraen-2-yl)amino]benzoic Acid, 4-{[(4Z)-1-phenyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]amino}benzoic acid
| Molecular Formula | C18H13N5O2 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 3.2573 |
| Topological Polar Surface Area | 92.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.10693 |
| Heavy Atoms | 25 |
| Complexity | 1042.2101 |
Chemical Identifiers
| CAS Number | 333324-93-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid (CAS 333324-93-9), with molecular formula C18H13N5O2 and molecular weight 331.11 g/mol. IUPAC: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid.
Chemical Property Profile of 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
Property Insights of 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
The XLogP value of 3.2573 indicates that 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(1-Phenylpyrazolo[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 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
The CAS number of 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid is 333324-93-9.
What is the molecular formula of 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
The molecular formula of 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid is C18H13N5O2.
What is the molecular weight of 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
The molecular weight of 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid is 331.11 g/mol.
Where can I buy 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
You can request a quote for 4-[(1-Phenylpyrazolo[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 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1-Phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.