![3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole structure](/static/products/4396/439605-58-0.webp)
3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole
TL;DR: 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole (CAS 439605-58-0) is a chemical compound with molecular formula C14H18N4S and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
Also Known As: 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole, ASN 09889710, 3-(Benzylthio)-4-methyl-5-(pyrrolidin-2-yl)-4H-1,2,4-triazole, 3-benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole, 3-(benzylsulfanyl)-4-methyl-5-(pyrrolidin-2-yl)-1,2,4-triazole
| Molecular Formula | C14H18N4S |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.5319 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1252 |
| Heavy Atoms | 19 |
| Complexity | 531.6339 |
Chemical Identifiers
| CAS Number | 439605-58-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN3 |
Product Overview
3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole (CAS 439605-58-0), with molecular formula C14H18N4S and molecular weight 274.13 g/mol. IUPAC: 3-benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole.
Chemical Property Profile of 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole
Property Insights of 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole
The XLogP value of 2.5319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole. With a topological polar surface area (TPSA) of 42.74 Ų, 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole has 1 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-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole?
The CAS number of 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole is 439605-58-0.
What is the molecular formula of 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole?
The molecular formula of 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole is C14H18N4S.
What is the molecular weight of 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole?
The molecular weight of 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole is 274.13 g/mol.
Where can I buy 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole?
You can request a quote for 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylsulfanyl-4-methyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.