AB00749944-01
TL;DR: AB00749944-01 (CAS 613227-17-1) is a chemical compound with molecular formula C24H20F3N5O2S and molecular weight 499.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AB00749944-01, 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[4-(4-ethoxyphenyl)-5-(3-pyridyl)(1,2,4-triazol-3-ylthio)]-N-[3-(trifluorome thyl)phenyl]acetamide
| Molecular Formula | C24H20F3N5O2S |
|---|---|
| Molecular Weight | 499.13 g/mol |
| LogP | 5.4776 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.12897 |
| Heavy Atoms | 35 |
| Complexity | 1294.7699 |
Chemical Identifiers
| CAS Number | 613227-17-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CN=CC=C4 |
Product Overview
AB00749944-01 (CAS 613227-17-1), with molecular formula C24H20F3N5O2S and molecular weight 499.13 g/mol. IUPAC: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AB00749944-01
Property Insights of AB00749944-01
The XLogP value of 5.4776 indicates that AB00749944-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00749944-01. Following Lipinski's Rule of Five, AB00749944-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00749944-01?
The CAS number of AB00749944-01 is 613227-17-1.
What is the molecular formula of AB00749944-01?
The molecular formula of AB00749944-01 is C24H20F3N5O2S.
What is the molecular weight of AB00749944-01?
The molecular weight of AB00749944-01 is 499.13 g/mol.
Where can I buy AB00749944-01?
You can request a quote for AB00749944-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00749944-01?
Yes, KEHONG BIO provides custom synthesis services for AB00749944-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.