![Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide structure](/static/products/3317/331723-25-2.webp)
Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide
TL;DR: Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide (CAS 331723-25-2) is a chemical compound with molecular formula C10H14N4S and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: BAS 00489179, AB00083307-01, isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide, 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine, 7-(Isobutylthio)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C10H14N4S |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.09392 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 331723-25-2 |
|---|---|
| SMILES | CC1=NC2=NC=NN2C(=C1)SCC(C)C |
| InChIKey | JNFQUODMJBRRQK-UHFFFAOYSA-N |
Product Overview
Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide (CAS 331723-25-2), with molecular formula C10H14N4S and molecular weight 222.09 g/mol. IUPAC: 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide
Property Insights of Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide. Following Lipinski's Rule of Five, Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide 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 Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide?
The CAS number of Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide is 331723-25-2.
What is the molecular formula of Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide?
The molecular formula of Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide is C10H14N4S.
What is the molecular weight of Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide?
The molecular weight of Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide is 222.09 g/mol.
Where can I buy Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide?
You can request a quote for Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.