Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-
TL;DR: Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)- (CAS 109241-76-1) is a chemical compound with molecular formula C17H18O4S and molecular weight 318.0926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-hydroxy-5-(thiophene-2-carbonyl)phenyl]hexanoic acid
Also Known As: alpha-Butyl-2-hydroxy-5-(2-thienylcarbonyl)benzeneacetic acid, Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-, 2-[2-hydroxy-5-(thiophene-2-carbonyl)phenyl]hexanoic acid, BRN 6738606
Technical Specifications
| Molecular Formula | C17H18O4S |
| Molecular Weight | 318.0926 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.0926 Da |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
| SMILES | CCCCC(C1=C(C=CC(=C1)C(=O)C2=CC=CS2)O)C(=O)O |
| InChIKey | SOWIYMJTFZOWRV-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-
Property Insights of Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-
The XLogP value of 4.4 indicates that Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-?
The CAS number of Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)- is 109241-76-1.
What is the molecular formula of Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-?
The molecular formula of Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)- is C17H18O4S.
What is the molecular weight of Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-?
The molecular weight of Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)- is 318.0926 g/mol.
Where can I buy Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-?
You can request a quote for Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.