isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 900258-59-5) is a chemical compound with molecular formula C19H21N3O2S2 and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methylethyl 2-[4-(4-methylphenyl)-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]a cetate, propan-2-yl {[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, propan-2-yl 2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, propan-2-yl 2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C19H21N3O2S2 |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.1075 |
| Heavy Atoms | 26 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 900258-59-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)CC3=CC=CS3 |
| InChIKey | JUTYTXKNTXTFCM-UHFFFAOYSA-N |
Product Overview
isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 900258-59-5), with molecular formula C19H21N3O2S2 and molecular weight 387.11 g/mol. IUPAC: propan-2-yl 2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 4.7 indicates that isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate has 0 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 isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate is 900258-59-5.
What is the molecular formula of isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate is C19H21N3O2S2.
What is the molecular weight of isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate is 387.11 g/mol.
Where can I buy isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-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 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.