(3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid
TL;DR: (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid (CAS 42393-10-2) 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.
(E)-2-oxo-4-thiophen-2-ylbut-3-enoic acid
Also Known As: (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid, 2-oxo-4-thien-2-ylbut-3-enoic acid, (E)-2-oxo-4-thiophen-2-ylbut-3-enoic acid, 2-Oxo-4-(2-thienyl)-3-butenoic acid, 2-Oxo-4-(thiophen-2-yl)but-3-enoic acid
| Molecular Formula | C8H6O3S |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 1.415 |
| 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 | 42393-10-2 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C/C(=O)C(=O)O |
Product Overview
(3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid (CAS 42393-10-2), with molecular formula C8H6O3S and molecular weight 182.00 g/mol. IUPAC: (E)-2-oxo-4-thiophen-2-ylbut-3-enoic acid.
Chemical Property Profile of (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid
Property Insights of (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid
The XLogP value of 1.415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid 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 (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid?
The CAS number of (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid is 42393-10-2.
What is the molecular formula of (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid?
The molecular formula of (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid is C8H6O3S.
What is the molecular weight of (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid?
The molecular weight of (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid is 182.00 g/mol.
Where can I buy (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid?
You can request a quote for (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3E)-2-oxo-4-(thiophen-2-yl)but-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.