![2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile structure](/static/products/877/877804-94-9.png)
2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile
TL;DR: 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile (CAS 877804-94-9) is a chemical compound with molecular formula C16H14N4S and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetonitrile
Also Known As: 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile, 2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetonitrile, [(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]acetonitrile, 2-((2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)acetonitrile, 2-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]acetonitrile
| Molecular Formula | C16H14N4S |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0939 |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 877804-94-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=NN2C(=C1)SCC#N)C)C3=CC=CC=C3 |
| InChIKey | IKRWSIONZWYJSC-UHFFFAOYSA-N |
Product Overview
2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile (CAS 877804-94-9), with molecular formula C16H14N4S and molecular weight 294.09 g/mol. IUPAC: 2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetonitrile.
Chemical Property Profile of 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile
Property Insights of 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile
The XLogP value of 3.4 indicates that 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile. Following Lipinski's Rule of Five, 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile has 0 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-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile?
The CAS number of 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile is 877804-94-9.
What is the molecular formula of 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile?
The molecular formula of 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile is C16H14N4S.
What is the molecular weight of 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile?
The molecular weight of 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile is 294.09 g/mol.
Where can I buy 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile?
You can request a quote for 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)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-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.