![4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid structure](/static/products/3333/333324-92-8.webp)
4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
TL;DR: 4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid (CAS 333324-92-8) is a chemical compound with molecular formula C19H15N5O2 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
Also Known As: ChemDiv3_003719, BAS 02226398, IDI1_021629, 4-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid, 4-((1-Benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoic acid
| Molecular Formula | C19H15N5O2 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 3.3164 |
| Topological Polar Surface Area | 92.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.1226 |
| Heavy Atoms | 26 |
| Complexity | 1058.4445 |
Chemical Identifiers
| CAS Number | 333324-92-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=NC=NC(=C3C=N2)NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid (CAS 333324-92-8), with molecular formula C19H15N5O2 and molecular weight 345.12 g/mol. IUPAC: 4-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid.
Chemical Property Profile of 4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
Property Insights of 4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
The XLogP value of 3.3164 indicates that 4-[(1-Benzylpyrazolo[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-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(1-Benzylpyrazolo[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-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
The CAS number of 4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid is 333324-92-8.
What is the molecular formula of 4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
The molecular formula of 4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid is C19H15N5O2.
What is the molecular weight of 4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
The molecular weight of 4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid is 345.12 g/mol.
Where can I buy 4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
You can request a quote for 4-[(1-Benzylpyrazolo[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-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.