}-N-(4-fluorophen yl)acetamide structure](/static/products/840/840486-98-8.png)
2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide
TL;DR: 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide (CAS 840486-98-8) is a chemical compound with molecular formula C19H20FN5O2S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide, 2-((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide, 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide, 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
| Molecular Formula | C19H20FN5O2S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 3.316 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.13217 |
| Heavy Atoms | 28 |
| Complexity | 959.21277 |
Chemical Identifiers
| CAS Number | 840486-98-8 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)F |
Product Overview
2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide (CAS 840486-98-8), with molecular formula C19H20FN5O2S and molecular weight 401.13 g/mol. IUPAC: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide
Property Insights of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide
The XLogP value of 3.316 indicates that 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide. Following Lipinski's Rule of Five, 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide has 2 hydrogen bond donor(s) and 6 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 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide?
The CAS number of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide is 840486-98-8.
What is the molecular formula of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide?
The molecular formula of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide is C19H20FN5O2S.
What is the molecular weight of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide?
The molecular weight of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide is 401.13 g/mol.
Where can I buy 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide?
You can request a quote for 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)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-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-fluorophen yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.