RefChem:448780
TL;DR: RefChem:448780 (CAS 578698-76-7) is a chemical compound with molecular formula C19H14F6N4OS2 and molecular weight 492.05 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-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: 2-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3,5-bis(trifluoromethyl)phenyl]acetamide, 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide, 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide, 638-248-2, N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-prop-2-enyl-5-(2-thienyl)(1,2,4-triazo l-3-ylthio))acetamide
| Molecular Formula | C19H14F6N4OS2 |
|---|---|
| Molecular Weight | 492.05 g/mol |
| LogP | 5.961 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.05133 |
| Heavy Atoms | 32 |
| Complexity | 1073.9587 |
Chemical Identifiers
| CAS Number | 578698-76-7 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CS3 |
Product Overview
RefChem:448780 (CAS 578698-76-7), with molecular formula C19H14F6N4OS2 and molecular weight 492.05 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:448780
Property Insights of RefChem:448780
The XLogP value of 5.961 indicates that RefChem:448780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, RefChem:448780 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:448780 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 RefChem:448780?
The CAS number of RefChem:448780 is 578698-76-7.
What is the molecular formula of RefChem:448780?
The molecular formula of RefChem:448780 is C19H14F6N4OS2.
What is the molecular weight of RefChem:448780?
The molecular weight of RefChem:448780 is 492.05 g/mol.
Where can I buy RefChem:448780?
You can request a quote for RefChem:448780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448780?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.