}-N-(4-ethoxyphen yl)acetamide structure](/static/products/840/840509-87-7.png)
2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide
TL;DR: 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide (CAS 840509-87-7) is a chemical compound with molecular formula C21H25N5O3S and molecular weight 427.17 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-ethoxyphenyl)acetamide
Also Known As: 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide, 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide, 2-((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethoxyphenyl)acetamide, 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C21H25N5O3S |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | 3.5756 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.16782 |
| Heavy Atoms | 30 |
| Complexity | 988.5618 |
Chemical Identifiers
| CAS Number | 840509-87-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC(C)C |
Product Overview
2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide (CAS 840509-87-7), with molecular formula C21H25N5O3S and molecular weight 427.17 g/mol. IUPAC: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide
Property Insights of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide
The XLogP value of 3.5756 indicates that 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.29 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-ethoxyphen yl)acetamide. Following Lipinski's Rule of Five, 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide has 2 hydrogen bond donor(s) and 7 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-ethoxyphen yl)acetamide?
The CAS number of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide is 840509-87-7.
What is the molecular formula of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide?
The molecular formula of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide is C21H25N5O3S.
What is the molecular weight of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide?
The molecular weight of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide is 427.17 g/mol.
Where can I buy 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen yl)acetamide?
You can request a quote for 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(4-ethoxyphen 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-ethoxyphen 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-ethoxyphen yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.