5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
TL;DR: 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene (CAS 1219-28-9) is a chemical compound with molecular formula C14H12O2S2 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl acetate
Also Known As: 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene, 5-(4-acetoxy-1-butynyl)-2,2'-bithiophene, 4-(5-(2-Thienyl)-2-thienyl)-3-butyn-1-ol acetate, 5-(4-acetoxy-1-butynyl)-2,2'-bithienyl, 3-Butyn-1-ol, 4-(5-(2-thienyl)-2-thienyl)-, acetate
| Molecular Formula | C14H12O2S2 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.02786 |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 1219-28-9 |
|---|---|
| SMILES | CC(=O)OCCC#CC1=CC=C(S1)C2=CC=CS2 |
| InChIKey | KHPAKGUGOFYJNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene (CAS 1219-28-9), with molecular formula C14H12O2S2 and molecular weight 276.03 g/mol. IUPAC: 4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl acetate.
Chemical Property Profile of 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Property Insights of 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
The XLogP value of 3.6 indicates that 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene. Following Lipinski's Rule of Five, 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene has 0 hydrogen bond donor(s) and 4 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 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene?
The CAS number of 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene is 1219-28-9.
What is the molecular formula of 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene?
The molecular formula of 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene is C14H12O2S2.
What is the molecular weight of 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene?
The molecular weight of 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene is 276.03 g/mol.
Where can I buy 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene?
You can request a quote for 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.