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5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
TL;DR: 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile (CAS 79220-58-9) is a chemical compound with molecular formula C13H11N5S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
Also Known As: 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile, 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c], 5-(Methylsulfanyl)-2-phenyl-2,3-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
| Molecular Formula | C13H11N5S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.07352 |
| Heavy Atoms | 19 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 79220-58-9 |
|---|---|
| SMILES | CSC1=NC=C(C2=NC(NN21)C3=CC=CC=C3)C#N |
| InChIKey | AUBPLERNDSREIM-UHFFFAOYSA-N |
Product Overview
5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile (CAS 79220-58-9), with molecular formula C13H11N5S and molecular weight 269.07 g/mol. IUPAC: 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile.
Chemical Property Profile of 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
Property Insights of 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile. Following Lipinski's Rule of Five, 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile has 1 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 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile?
The CAS number of 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile is 79220-58-9.
What is the molecular formula of 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile?
The molecular formula of 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile is C13H11N5S.
What is the molecular weight of 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile?
The molecular weight of 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile is 269.07 g/mol.
Where can I buy 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile?
You can request a quote for 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.