![2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine structure](/static/products/4426/442672-66-4.webp)
2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
TL;DR: 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 442672-66-4) is a chemical compound with molecular formula C12H18N4S and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 5,6,7-TRIMETHYL-2-[(2-METHYLPROPYL)SULFANYL]-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE, 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine, 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine, A2854/0120392, 2-(Isobutylthio)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C12H18N4S |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.12521 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 442672-66-4 |
|---|---|
| SMILES | CC1=C(N2C(=NC(=N2)SCC(C)C)N=C1C)C |
| InChIKey | JUKZUGMBCMCKHY-UHFFFAOYSA-N |
Product Overview
2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 442672-66-4), with molecular formula C12H18N4S and molecular weight 250.13 g/mol. IUPAC: 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
Property Insights of 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
The XLogP value of 3.4 indicates that 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine. Following Lipinski's Rule of Five, 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine 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-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The CAS number of 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is 442672-66-4.
What is the molecular formula of 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The molecular formula of 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is C12H18N4S.
What is the molecular weight of 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The molecular weight of 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is 250.13 g/mol.
Where can I buy 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
You can request a quote for 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.