![2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile structure](/static/products/7026/702648-68-8.webp)
2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
TL;DR: 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile (CAS 702648-68-8) is a chemical compound with molecular formula C23H20N4S and molecular weight 384.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 2-[[4-ethyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile, 2-({[4-ETHYL-5-(NAPHTHALEN-1-YLMETHYL)-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL)BENZONITRILE
| Molecular Formula | C23H20N4S |
|---|---|
| Molecular Weight | 384.14 g/mol |
| LogP | 5.20598 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.14087 |
| Heavy Atoms | 28 |
| Complexity | 1151.4463 |
Chemical Identifiers
| CAS Number | 702648-68-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=CC=C2C#N)CC3=CC=CC4=CC=CC=C43 |
Product Overview
2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile (CAS 702648-68-8), with molecular formula C23H20N4S and molecular weight 384.14 g/mol. IUPAC: 2-[[4-ethyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Property Insights of 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
The XLogP value of 5.20598 indicates that 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
The CAS number of 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is 702648-68-8.
What is the molecular formula of 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
The molecular formula of 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is C23H20N4S.
What is the molecular weight of 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
The molecular weight of 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile is 384.14 g/mol.
Where can I buy 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
You can request a quote for 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.