isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 899391-16-3) is a chemical compound with molecular formula C18H18ClN3O3S and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methylethyl 2-[5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]ace tate, propan-2-yl {[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, propan-2-yl 2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, propan-2-yl 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C18H18ClN3O3S |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 4.2835 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.07574 |
| Heavy Atoms | 26 |
| Complexity | 877.701 |
Chemical Identifiers
| CAS Number | 899391-16-3 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)Cl |
Product Overview
isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 899391-16-3), with molecular formula C18H18ClN3O3S and molecular weight 391.08 g/mol. IUPAC: propan-2-yl 2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 4.2835 indicates that isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-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 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-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-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate is 899391-16-3.
What is the molecular formula of isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate is C18H18ClN3O3S.
What is the molecular weight of isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate is 391.08 g/mol.
Where can I buy isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-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-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.