2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene
TL;DR: 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene (CAS 114691-31-5) is a chemical compound with molecular formula C14H9ClO2S and molecular weight 276.0012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(5-buta-1,3-diynylthiophen-2-yl)-2-chlorobut-3-ynyl] acetate
Also Known As: Acbp-thiophene, 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene, [4-(5-buta-1,3-diynylthiophen-2-yl)-2-chlorobut-3-ynyl] acetate, 4-(5-(1,3-Butadiynyl)-2-thienyl)-2-chloro-3-butyn-1-ol acetate, 3-Butyn-1-ol, 4-(5-(1,3-butadiynyl)-2-thienyl)-2-chloro-, acetate
Technical Specifications
| Molecular Formula | C14H9ClO2S |
| Molecular Weight | 276.0012 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.0012 Da |
| Heavy Atoms | 18 |
| Complexity | 490.0 |
| SMILES | CC(=O)OCC(C#CC1=CC=C(S1)C#CC#C)Cl |
| InChIKey | NSNKOTXFJDNDDD-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene
Property Insights of 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene
The XLogP value of 3.0 indicates that 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene?
The CAS number of 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene is 114691-31-5.
What is the molecular formula of 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene?
The molecular formula of 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene is C14H9ClO2S.
What is the molecular weight of 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene?
The molecular weight of 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene is 276.0012 g/mol.
Where can I buy 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene?
You can request a quote for 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene?
Yes, CoreyChem provides custom synthesis services for 2-(4-Acetoxy-3-chloro-1-butyn-1-yl)-5-(1,3-butadiyn-1-yl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.