2,5-Ditert-butyl-3-thiophenecarboxylic acid
TL;DR: 2,5-Ditert-butyl-3-thiophenecarboxylic acid (CAS 100532-80-7) is a chemical compound with molecular formula C13H20O2S and molecular weight 240.11841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-ditert-butylthiophene-3-carboxylic acid
Also Known As: 2,5-ditert-butyl-3-thiophenecarboxylic acid, 2,5-ditert-butylthiophene-3-carboxylic acid, 2,5-di-t-butyl-3-thiophenecarboxylic acid, AI-942/13332206
Technical Specifications
| Molecular Formula | C13H20O2S |
| Molecular Weight | 240.11841 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.11841 Da |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
| SMILES | CC(C)(C)C1=CC(=C(S1)C(C)(C)C)C(=O)O |
| InChIKey | GEQPOLMSSLZGMF-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Ditert-butyl-3-thiophenecarboxylic acid
Property Insights of 2,5-Ditert-butyl-3-thiophenecarboxylic acid
The XLogP value of 4.5 indicates that 2,5-Ditert-butyl-3-thiophenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Ditert-butyl-3-thiophenecarboxylic acid. Following Lipinski's Rule of Five, 2,5-Ditert-butyl-3-thiophenecarboxylic 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
What is the CAS number of 2,5-Ditert-butyl-3-thiophenecarboxylic acid?
The CAS number of 2,5-Ditert-butyl-3-thiophenecarboxylic acid is 100532-80-7.
What is the molecular formula of 2,5-Ditert-butyl-3-thiophenecarboxylic acid?
The molecular formula of 2,5-Ditert-butyl-3-thiophenecarboxylic acid is C13H20O2S.
What is the molecular weight of 2,5-Ditert-butyl-3-thiophenecarboxylic acid?
The molecular weight of 2,5-Ditert-butyl-3-thiophenecarboxylic acid is 240.11841 g/mol.
Where can I buy 2,5-Ditert-butyl-3-thiophenecarboxylic acid?
You can request a quote for 2,5-Ditert-butyl-3-thiophenecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Ditert-butyl-3-thiophenecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2,5-Ditert-butyl-3-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.