3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine (CAS 87693-67-2) is a chemical compound with molecular formula C14H13N5S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine
Also Known As: BAS 01935240, 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine, AE-848/15341438, 3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine, 3-Benzylsulfanyl-5-pyridin-4-yl-[1,2,4]triazol-4-ylamine
| Molecular Formula | C14H13N5S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 2.3462 |
| Topological Polar Surface Area | 69.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.08917 |
| Heavy Atoms | 20 |
| Complexity | 681.2987 |
Chemical Identifiers
| CAS Number | 87693-67-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=NC=C3 |
Product Overview
3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine (CAS 87693-67-2), with molecular formula C14H13N5S and molecular weight 283.09 g/mol. IUPAC: 3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine
The XLogP value of 2.3462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine. The TPSA of 69.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 5 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)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine is 87693-67-2.
What is the molecular formula of 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine is C14H13N5S.
What is the molecular weight of 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine is 283.09 g/mol.
Where can I buy 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.