5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene
TL;DR: 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene (CAS 1137-87-7) is a chemical compound with molecular formula C12H10OS2 and molecular weight 234.02 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-yn-1-ol
Also Known As: 5-(4-hydroxybut-1-ynyl)-2,2'-bithiophene, BBTOH, 4-(5-(2-Thienyl)-2-thienyl)-3-butyn-1-ol, 3-Butyn-1-ol, 4-(5-(2-thienyl)-2-thienyl)-, 4-[2,2'-Bithiophen]-5-yl-3-Butyn-1-ol
| Molecular Formula | C12H10OS2 |
|---|---|
| Molecular Weight | 234.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0173 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 1137-87-7 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CC=C(S2)C#CCCO |
| InChIKey | ASKPCVROMAYWEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene (CAS 1137-87-7), with molecular formula C12H10OS2 and molecular weight 234.02 g/mol. IUPAC: 4-(5-thiophen-2-ylthiophen-2-yl)but-3-yn-1-ol.
Chemical Property Profile of 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene
Property Insights of 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene
The XLogP value of 3.0 indicates that 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene. Following Lipinski's Rule of Five, 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene has 1 hydrogen bond donor(s) and 3 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-Hydroxybut-1-ynyl)-2,2'-bithiophene?
The CAS number of 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene is 1137-87-7.
What is the molecular formula of 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene?
The molecular formula of 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene is C12H10OS2.
What is the molecular weight of 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene?
The molecular weight of 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene is 234.02 g/mol.
Where can I buy 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene?
You can request a quote for 5-(4-Hydroxybut-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-Hydroxybut-1-ynyl)-2,2'-bithiophene?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.