2-Butenoic acid, 4-oxo-4-(2-thienyl)-
TL;DR: 2-Butenoic acid, 4-oxo-4-(2-thienyl)- (CAS 71150-02-2) is a chemical compound with molecular formula C8H6O3S and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-thiophen-2-ylbut-2-enoic acid
Also Known As: 3-(2-thenoyl)acrylic acid, beta-(2-thenoyl)acrylic acid, 4-oxo-4-thiophen-2-ylbut-2-enoic acid, 2-Butenoic acid, 4-oxo-4-(2-thienyl)-, 4-(2-Thienyl)-4-oxocrotonic acid
| Molecular Formula | C8H6O3S |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 1.5716 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.00377 |
| Heavy Atoms | 12 |
| Complexity | 311.05377 |
Chemical Identifiers
| CAS Number | 71150-02-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C=CC(=O)O |
Product Overview
2-Butenoic acid, 4-oxo-4-(2-thienyl)- (CAS 71150-02-2), with molecular formula C8H6O3S and molecular weight 182.00 g/mol. IUPAC: 4-oxo-4-thiophen-2-ylbut-2-enoic acid.
Chemical Property Profile of 2-Butenoic acid, 4-oxo-4-(2-thienyl)-
Property Insights of 2-Butenoic acid, 4-oxo-4-(2-thienyl)-
The XLogP value of 1.5716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-oxo-4-(2-thienyl)-. With a topological polar surface area (TPSA) of 54.37 Ų, 2-Butenoic acid, 4-oxo-4-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-oxo-4-(2-thienyl)- 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 2-Butenoic acid, 4-oxo-4-(2-thienyl)-?
The CAS number of 2-Butenoic acid, 4-oxo-4-(2-thienyl)- is 71150-02-2.
What is the molecular formula of 2-Butenoic acid, 4-oxo-4-(2-thienyl)-?
The molecular formula of 2-Butenoic acid, 4-oxo-4-(2-thienyl)- is C8H6O3S.
What is the molecular weight of 2-Butenoic acid, 4-oxo-4-(2-thienyl)-?
The molecular weight of 2-Butenoic acid, 4-oxo-4-(2-thienyl)- is 182.00 g/mol.
Where can I buy 2-Butenoic acid, 4-oxo-4-(2-thienyl)-?
You can request a quote for 2-Butenoic acid, 4-oxo-4-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 4-oxo-4-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-oxo-4-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.