4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid
TL;DR: 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid (CAS 70685-06-2) is a chemical compound with molecular formula C8H7ClO3S and molecular weight 217.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-chlorothiophen-2-yl)-4-oxobutanoic acid
Also Known As: 4-(5-Chloro-2-thienyl)-4-oxobutyric acid, 4-(5-chlorothiophen-2-yl)-4-oxobutanoic acid, 4- -4-OXOBUTYRICACID, 3-(5-chlorothienoyl)propionic acid, 2-Thiophenebutanoicacid, 5-chloro-g-oxo-
| Molecular Formula | C8H7ClO3S |
|---|---|
| Molecular Weight | 217.98 g/mol |
| LogP | 2.449 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.98044 |
| Heavy Atoms | 13 |
| Complexity | 331.88507 |
Chemical Identifiers
| CAS Number | 70685-06-2 |
|---|---|
| SMILES | C1=C(SC(=C1)Cl)C(=O)CCC(=O)O |
Product Overview
4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid (CAS 70685-06-2), with molecular formula C8H7ClO3S and molecular weight 217.98 g/mol. IUPAC: 4-(5-chlorothiophen-2-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid
Property Insights of 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid
The XLogP value of 2.449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic 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 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid?
The CAS number of 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid is 70685-06-2.
What is the molecular formula of 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid?
The molecular formula of 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid is C8H7ClO3S.
What is the molecular weight of 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid?
The molecular weight of 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid is 217.98 g/mol.
Where can I buy 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid?
You can request a quote for 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Chlorothiophen-2-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.