Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate
TL;DR: Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate (CAS 677330-65-3) is a chemical compound with molecular formula C16H22N4O5S and molecular weight 382.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ISOPROPYL ((4-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)4H-1,2,4-TRIAZOL-3-YL)THIO)ACETATE, Isopropyl 2-((4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methylethyl 2-[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-ylthio]aceta te, propan-2-yl {[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, propan-2-yl 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C16H22N4O5S |
|---|---|
| Molecular Weight | 382.13 g/mol |
| LogP | 1.7284 |
| Topological Polar Surface Area | 110.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.1311 |
| Heavy Atoms | 26 |
| Complexity | 752.99084 |
Chemical Identifiers
| CAS Number | 677330-65-3 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(N1N)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate (CAS 677330-65-3), with molecular formula C16H22N4O5S and molecular weight 382.13 g/mol. IUPAC: propan-2-yl 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate
Property Insights of Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate
The XLogP value of 1.7284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate. The TPSA of 110.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate. Following Lipinski's Rule of Five, Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate has 1 hydrogen bond donor(s) and 9 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 Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate?
The CAS number of Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate is 677330-65-3.
What is the molecular formula of Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate?
The molecular formula of Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate is C16H22N4O5S.
What is the molecular weight of Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate?
The molecular weight of Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate is 382.13 g/mol.
Where can I buy Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate?
You can request a quote for Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl ((4-amino-5-(3,4,5-trimethoxyphenyl)4H-1,2,4-triazol-3-YL)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.