5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene
TL;DR: 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene (CAS 17257-07-7) is a chemical compound with molecular formula C13H8S2 and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethynyl-5-(5-prop-1-ynylthiophen-2-yl)thiophene
Also Known As: 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene, 5-Ethynyl-5'-(prop-1-yn-1-yl)-2,2'-bithiophene, 2-(5-ethynylthiophen-2-yl)-5-prop-1-ynyl-thiophene, 2-ethynyl-5-(5-prop-1-ynylthiophen-2-yl)thiophene, 2-(5-ethynylthiophen-2-yl)-5-(prop-1-yn-1-yl)thiophene
| Molecular Formula | C13H8S2 |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.00674 |
| Heavy Atoms | 15 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 17257-07-7 |
|---|---|
| SMILES | CC#CC1=CC=C(S1)C2=CC=C(S2)C#C |
| InChIKey | DZJGBWIIRBMCFS-UHFFFAOYSA-N |
Product Overview
5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene (CAS 17257-07-7), with molecular formula C13H8S2 and molecular weight 228.01 g/mol. IUPAC: 2-ethynyl-5-(5-prop-1-ynylthiophen-2-yl)thiophene.
Chemical Property Profile of 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene
Property Insights of 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene
The XLogP value of 4.1 indicates that 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene has 0 hydrogen bond donor(s) and 2 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-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene?
The CAS number of 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene is 17257-07-7.
What is the molecular formula of 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene?
The molecular formula of 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene is C13H8S2.
What is the molecular weight of 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene?
The molecular weight of 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene is 228.01 g/mol.
Where can I buy 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene?
You can request a quote for 5-Ethynyl-5'-(1-propynyl)-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-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.