![3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine structure](/static/products/898/898652-86-3.png)
3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
TL;DR: 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 898652-86-3) is a chemical compound with molecular formula C17H18N8S and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
Also Known As: 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine, 3-(((1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)thio)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine, 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
| Molecular Formula | C17H18N8S |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 2.62598 |
| Topological Polar Surface Area | 86.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.1375 |
| Heavy Atoms | 26 |
| Complexity | 1097.5376 |
Chemical Identifiers
| CAS Number | 898652-86-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NN=N2)CSC3=NN=C4N3C(=CC(=N4)C)C)C |
Product Overview
3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 898652-86-3), with molecular formula C17H18N8S and molecular weight 366.14 g/mol. IUPAC: 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine.
Chemical Property Profile of 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Property Insights of 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
The XLogP value of 2.62598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine. The TPSA of 86.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine. Following Lipinski's Rule of Five, 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine has 0 hydrogen bond donor(s) and 7 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-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The CAS number of 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 898652-86-3.
What is the molecular formula of 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular formula of 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is C17H18N8S.
What is the molecular weight of 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular weight of 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 366.14 g/mol.
Where can I buy 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
You can request a quote for 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-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-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-({[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-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.