1,5-Bis-(2-thienyl)-1,4-pentadien-3-one
TL;DR: 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one (CAS 886-78-2) is a chemical compound with molecular formula C13H10OS2 and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E,4E)-1,5-dithiophen-2-ylpenta-1,4-dien-3-one
Also Known As: (thienyl-2)vinylketone, 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one, Bis[2-(2-thienyl)vinyl] ketone, 1,3-Bis(2-thienylmethylene)acetone, 1,5-Bis- -1,4-pentadien-3-one
| Molecular Formula | C13H10OS2 |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 4.1053 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.0173 |
| Heavy Atoms | 16 |
| Complexity | 443.7897 |
Chemical Identifiers
| CAS Number | 886-78-2 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C/C(=O)/C=C/C2=CC=CS2 |
Product Overview
1,5-Bis-(2-thienyl)-1,4-pentadien-3-one (CAS 886-78-2), with molecular formula C13H10OS2 and molecular weight 246.02 g/mol. IUPAC: (1E,4E)-1,5-dithiophen-2-ylpenta-1,4-dien-3-one.
Chemical Property Profile of 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one
Property Insights of 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one
The XLogP value of 4.1053 indicates that 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one 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
Frequently Asked Questions
What is the CAS number of 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one?
The CAS number of 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one is 886-78-2.
What is the molecular formula of 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one?
The molecular formula of 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one is C13H10OS2.
What is the molecular weight of 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one?
The molecular weight of 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one is 246.02 g/mol.
Where can I buy 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one?
You can request a quote for 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.