5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene
TL;DR: 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene (CAS 1233-95-0) is a chemical compound with molecular formula C16H14O4S2 and molecular weight 334.03336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-acetyloxy-4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl] acetate
Also Known As: BBT(OAc)2, 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene, 5-(3,4-diacetoxy-1-butynyl)-2,2'-bithienyl, 1-(2,2'-bithien-5-yl)but-1-yne-3,4-diyl diacetate, 5-(3,4-Diacetoxy-1-butenynyl)-2,2'-bithienyl
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H14O4S2 |
| Molecular Weight | 334.03336 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.03336 Da |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
| SMILES | CC(=O)OCC(C#CC1=CC=C(S1)C2=CC=CS2)OC(=O)C |
| InChIKey | RGIIXLVKXLFDLP-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene
Property Insights of 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene
The XLogP value of 3.0 indicates that 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene. Following Lipinski's Rule of Five, 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene 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
What is the CAS number of 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene?
The CAS number of 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene is 1233-95-0.
What is the molecular formula of 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene?
The molecular formula of 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene is C16H14O4S2.
What is the molecular weight of 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene?
The molecular weight of 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene is 334.03336 g/mol.
Where can I buy 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene?
You can request a quote for 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene?
Yes, CoreyChem provides custom synthesis services for 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.