![2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile structure](/static/products/893/893922-08-2.png)
2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile
TL;DR: 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile (CAS 893922-08-2) is a chemical compound with molecular formula C13H8ClN5S and molecular weight 301.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetonitrile
Also Known As: 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile, 2-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetonitrile, F1874-0871, 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetonitrile
| Molecular Formula | C13H8ClN5S |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 3.08458 |
| Topological Polar Surface Area | 67.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0189 |
| Heavy Atoms | 20 |
| Complexity | 807.8719 |
Chemical Identifiers
| CAS Number | 893922-08-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C(=NC=N3)SCC#N |
Product Overview
2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile (CAS 893922-08-2), with molecular formula C13H8ClN5S and molecular weight 301.02 g/mol. IUPAC: 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetonitrile.
Chemical Property Profile of 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile
Property Insights of 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile
The XLogP value of 3.08458 indicates that 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile. Following Lipinski's Rule of Five, 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile has 0 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 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile?
The CAS number of 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile is 893922-08-2.
What is the molecular formula of 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile?
The molecular formula of 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile is C13H8ClN5S.
What is the molecular weight of 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile?
The molecular weight of 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile is 301.02 g/mol.
Where can I buy 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile?
You can request a quote for 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.