4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate
TL;DR: 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate (CAS 669715-69-9) is a chemical compound with molecular formula C18H12FNO2S2 and molecular weight 357.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-fluorobenzoate
Also Known As: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate, 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-fluorobenzoate, 4-(benzo[d]thiazol-2-ylthio)but-2-yn-1-yl 4-fluorobenzoate
| Molecular Formula | C18H12FNO2S2 |
|---|---|
| Molecular Weight | 357.03 g/mol |
| LogP | 4.3879 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.02936 |
| Heavy Atoms | 24 |
| Complexity | 876.9086 |
Chemical Identifiers
| CAS Number | 669715-69-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC#CCOC(=O)C3=CC=C(C=C3)F |
Product Overview
4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate (CAS 669715-69-9), with molecular formula C18H12FNO2S2 and molecular weight 357.03 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-fluorobenzoate.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate
Property Insights of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate
The XLogP value of 4.3879 indicates that 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 5 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 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate?
The CAS number of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate is 669715-69-9.
What is the molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate?
The molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate is C18H12FNO2S2.
What is the molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate?
The molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate is 357.03 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate?
You can request a quote for 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.