1,4-di(2'-Thienyl)-1,4-butadione
TL;DR: 1,4-di(2'-Thienyl)-1,4-butadione (CAS 13669-05-1) is a chemical compound with molecular formula C12H10O2S2 and molecular weight 250.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dithiophen-2-ylbutane-1,4-dione
Also Known As: 1,4-Di(2-thienyl)-1,4-butanedione, 1,4-dithiophen-2-ylbutane-1,4-dione, Maybridge3_005607, 1,4-Butanedione, 1,4-di-2-thienyl-, 1,4-bis(thiophen-2-yl)butane-1,4-dione
| Molecular Formula | C12H10O2S2 |
|---|---|
| Molecular Weight | 250.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.01222 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 13669-05-1 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CCC(=O)C2=CC=CS2 |
| InChIKey | QJGKCQWQNOPAMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-di(2'-Thienyl)-1,4-butadione (CAS 13669-05-1), with molecular formula C12H10O2S2 and molecular weight 250.01 g/mol. IUPAC: 1,4-dithiophen-2-ylbutane-1,4-dione.
Chemical Property Profile of 1,4-di(2'-Thienyl)-1,4-butadione
Property Insights of 1,4-di(2'-Thienyl)-1,4-butadione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-di(2'-Thienyl)-1,4-butadione. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-di(2'-Thienyl)-1,4-butadione. Following Lipinski's Rule of Five, 1,4-di(2'-Thienyl)-1,4-butadione has 0 hydrogen bond donor(s) and 4 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 1,4-di(2'-Thienyl)-1,4-butadione?
The CAS number of 1,4-di(2'-Thienyl)-1,4-butadione is 13669-05-1.
What is the molecular formula of 1,4-di(2'-Thienyl)-1,4-butadione?
The molecular formula of 1,4-di(2'-Thienyl)-1,4-butadione is C12H10O2S2.
What is the molecular weight of 1,4-di(2'-Thienyl)-1,4-butadione?
The molecular weight of 1,4-di(2'-Thienyl)-1,4-butadione is 250.01 g/mol.
Where can I buy 1,4-di(2'-Thienyl)-1,4-butadione?
You can request a quote for 1,4-di(2'-Thienyl)-1,4-butadione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-di(2'-Thienyl)-1,4-butadione?
Yes, KEHONG BIO provides custom synthesis services for 1,4-di(2'-Thienyl)-1,4-butadione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.