5-(5-Chloro-2-thienyl)-5-oxovaleric acid
TL;DR: 5-(5-Chloro-2-thienyl)-5-oxovaleric acid (CAS 845790-40-1) is a chemical compound with molecular formula C9H9ClO3S and molecular weight 232.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-chlorothiophen-2-yl)-5-oxopentanoic acid
Also Known As: 5-(5-chlorothiophen-2-yl)-5-oxopentanoic acid, 5-(5-Chloro-2-thienyl)-5-oxovaleric acid, 5- -5-OXOVALERICACID, 4-(3,4-Difluorophenyl)-4-oxobutyric acid, 5-BROMO-2-(PIPERIDIN-4-YL)PYRIDINE
| Molecular Formula | C9H9ClO3S |
|---|---|
| Molecular Weight | 232.00 g/mol |
| LogP | 2.8391 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.9961 |
| Heavy Atoms | 14 |
| Complexity | 345.5812 |
Chemical Identifiers
| CAS Number | 845790-40-1 |
|---|---|
| SMILES | C1=C(SC(=C1)Cl)C(=O)CCCC(=O)O |
Product Overview
5-(5-Chloro-2-thienyl)-5-oxovaleric acid (CAS 845790-40-1), with molecular formula C9H9ClO3S and molecular weight 232.00 g/mol. IUPAC: 5-(5-chlorothiophen-2-yl)-5-oxopentanoic acid.
Chemical Property Profile of 5-(5-Chloro-2-thienyl)-5-oxovaleric acid
Property Insights of 5-(5-Chloro-2-thienyl)-5-oxovaleric acid
The XLogP value of 2.8391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-Chloro-2-thienyl)-5-oxovaleric acid. With a topological polar surface area (TPSA) of 54.37 Ų, 5-(5-Chloro-2-thienyl)-5-oxovaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(5-Chloro-2-thienyl)-5-oxovaleric 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 5-(5-Chloro-2-thienyl)-5-oxovaleric acid?
The CAS number of 5-(5-Chloro-2-thienyl)-5-oxovaleric acid is 845790-40-1.
What is the molecular formula of 5-(5-Chloro-2-thienyl)-5-oxovaleric acid?
The molecular formula of 5-(5-Chloro-2-thienyl)-5-oxovaleric acid is C9H9ClO3S.
What is the molecular weight of 5-(5-Chloro-2-thienyl)-5-oxovaleric acid?
The molecular weight of 5-(5-Chloro-2-thienyl)-5-oxovaleric acid is 232.00 g/mol.
Where can I buy 5-(5-Chloro-2-thienyl)-5-oxovaleric acid?
You can request a quote for 5-(5-Chloro-2-thienyl)-5-oxovaleric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-Chloro-2-thienyl)-5-oxovaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Chloro-2-thienyl)-5-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.