![3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid structure](/static/products/104/1049739-49-2.webp)
3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid
TL;DR: 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid (CAS 1049739-49-2) is a chemical compound with molecular formula C18H14ClN5O2 and molecular weight 367.0836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid;hydrochloride
Also Known As: 3-((1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoic acid hydrochloride, 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid
Technical Specifications
| Molecular Formula | C18H14ClN5O2 |
| Molecular Weight | 367.0836 g/mol |
| XLogP | 3.6791 |
| Topological Polar Surface Area (TPSA) | 92.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.0836 Da |
| Heavy Atoms | 26 |
| Complexity | 470.0 |
| SMILES | C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC=CC(=C4)C(=O)O.Cl |
| InChIKey | OEKQDJPIGCCOPP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid
Property Insights of 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid
The XLogP value of 3.6791 indicates that 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid. Following Lipinski's Rule of Five, 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-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
What is the CAS number of 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid?
The CAS number of 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid is 1049739-49-2.
What is the molecular formula of 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid?
The molecular formula of 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid is C18H14ClN5O2.
What is the molecular weight of 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid?
The molecular weight of 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid is 367.0836 g/mol.
Where can I buy 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid?
You can request a quote for 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.