2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide
TL;DR: 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide (CAS 900274-65-9) is a chemical compound with molecular formula C20H16F6N4OS2 and molecular weight 506.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-prop-2-enyl-5-(2-thienylmethyl)(1,2,4- triazol-3-ylthio)]acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H16F6N4OS2 |
|---|---|
| Molecular Weight | 506.07 g/mol |
| LogP | 5.8848 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.067 |
| Heavy Atoms | 33 |
| Complexity | 1090.5164 |
Chemical Identifiers
| CAS Number | 900274-65-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=CS3 |
Product Overview
2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide (CAS 900274-65-9), with molecular formula C20H16F6N4OS2 and molecular weight 506.07 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide
Property Insights of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide
The XLogP value of 5.8848 indicates that 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide has 1 hydrogen bond donor(s) and 5 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-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide?
The CAS number of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide is 900274-65-9.
What is the molecular formula of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide?
The molecular formula of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide is C20H16F6N4OS2.
What is the molecular weight of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide?
The molecular weight of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide is 506.07 g/mol.
Where can I buy 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide?
You can request a quote for 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.