![2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid structure](/static/products/401/401925-82-4.png)
2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid
TL;DR: 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid (CAS 401925-82-4) is a chemical compound with molecular formula C13H10N4O2S and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetic acid
Also Known As: 2-phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl) acetic acid, 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid, 2-phenyl-2-{4-sulfanylidene-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid, 2-phenyl-2-(2-sulfanylidene-3,5,7,8-tetrazabicyclo[4.3.0]nona-4,8,10-trien-3-yl)acetic Acid
| Molecular Formula | C13H10N4O2S |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 2.16289 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.05246 |
| Heavy Atoms | 20 |
| Complexity | 825.00836 |
Chemical Identifiers
| CAS Number | 401925-82-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)N2C=NC3=C(C2=S)C=NN3 |
Product Overview
2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid (CAS 401925-82-4), with molecular formula C13H10N4O2S and molecular weight 286.05 g/mol. IUPAC: 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetic acid.
Chemical Property Profile of 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid
Property Insights of 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid
The XLogP value of 2.16289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid. Following Lipinski's Rule of Five, 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid has 2 hydrogen bond donor(s) and 4 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 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid?
The CAS number of 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid is 401925-82-4.
What is the molecular formula of 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid?
The molecular formula of 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid is C13H10N4O2S.
What is the molecular weight of 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid?
The molecular weight of 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid is 286.05 g/mol.
Where can I buy 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid?
You can request a quote for 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.