![3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine structure](/static/products/3280/328022-05-5.webp)
3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
TL;DR: 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 328022-05-5) is a chemical compound with molecular formula C11H16N4S and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-3-(2-methylpropylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine
Also Known As: BAS 01152548, 3-(isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine, BIM-0026208.P001, 5,7-dimethyl-3-(2-methylpropylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine, 3-(isobutylthio)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
| Molecular Formula | C11H16N4S |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.10957 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 328022-05-5 |
|---|---|
| SMILES | CC1=CC(=NC2=NN=C(N12)SCC(C)C)C |
| InChIKey | SFGRTIZDBHISJX-UHFFFAOYSA-N |
Product Overview
3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 328022-05-5), with molecular formula C11H16N4S and molecular weight 236.11 g/mol. IUPAC: 5,7-dimethyl-3-(2-methylpropylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine.
Chemical Property Profile of 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Property Insights of 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
The XLogP value of 3.5 indicates that 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-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 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine. Following Lipinski's Rule of Five, 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-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 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The CAS number of 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 328022-05-5.
What is the molecular formula of 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular formula of 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is C11H16N4S.
What is the molecular weight of 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular weight of 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 236.11 g/mol.
Where can I buy 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
You can request a quote for 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Isobutylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.