![3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine structure](/static/products/3725/372500-77-1.webp)
3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
TL;DR: 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 372500-77-1) is a chemical compound with molecular formula C14H22N4S and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
Also Known As: A2788/0117825, 3-(heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine, 3-(heptylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine, 3-(heptylthio)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine, 3-heptylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
| Molecular Formula | C14H22N4S |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | 3.80364 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.15652 |
| Heavy Atoms | 19 |
| Complexity | 535.47064 |
Chemical Identifiers
| CAS Number | 372500-77-1 |
|---|---|
| SMILES | CCCCCCCSC1=NN=C2N1C(=CC(=N2)C)C |
Product Overview
3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 372500-77-1), with molecular formula C14H22N4S and molecular weight 278.16 g/mol. IUPAC: 3-heptylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine.
Chemical Property Profile of 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Property Insights of 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
The XLogP value of 3.80364 indicates that 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Heptylthio)-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-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The CAS number of 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 372500-77-1.
What is the molecular formula of 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular formula of 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is C14H22N4S.
What is the molecular weight of 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular weight of 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 278.16 g/mol.
Where can I buy 3-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
You can request a quote for 3-(Heptylthio)-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-(Heptylthio)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Heptylthio)-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.