}-N-(3,4-dimethox yphenyl)acetamide structure](/static/products/840/840499-67-4.png)
2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide
TL;DR: 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide (CAS 840499-67-4) is a chemical compound with molecular formula C21H25N5O4S and molecular weight 443.16 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-(3,4-dimethoxyphenyl)acetamide
Also Known As: 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide, 2-((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-dimethoxyphenyl)acetamide, 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dimethoxyphenyl)acetamide, 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
| Molecular Formula | C21H25N5O4S |
|---|---|
| Molecular Weight | 443.16 g/mol |
| LogP | 3.1941 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.16272 |
| Heavy Atoms | 31 |
| Complexity | 1053.9994 |
Chemical Identifiers
| CAS Number | 840499-67-4 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)OC)OC |
Product Overview
2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide (CAS 840499-67-4), with molecular formula C21H25N5O4S and molecular weight 443.16 g/mol. IUPAC: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide
Property Insights of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide
The XLogP value of 3.1941 indicates that 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.52 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-(3,4-dimethox yphenyl)acetamide. Following Lipinski's Rule of Five, 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide has 2 hydrogen bond donor(s) and 8 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-(3,4-dimethox yphenyl)acetamide?
The CAS number of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide is 840499-67-4.
What is the molecular formula of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide?
The molecular formula of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide is C21H25N5O4S.
What is the molecular weight of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide?
The molecular weight of 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide is 443.16 g/mol.
Where can I buy 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide?
You can request a quote for 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)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-(3,4-dimethox yphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-dimethox yphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.