beta-Chloropivalic acid
TL;DR: beta-Chloropivalic acid (CAS 13511-38-1) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.02911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2,2-dimethylpropanoic acid
Also Known As: 3-Chloropivalic acid, Chloropivalic acid, 3-Chloro-2,2-dimethylpropanoic acid, 3-Chloro-2,2-dimethylpropionic acid, beta-Chloropivalic acid
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9ClO2 |
| Molecular Weight | 136.02911 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.02911 Da |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
| SMILES | CC(C)(CCl)C(=O)O |
| InChIKey | YBJGQSNSAWZZHL-UHFFFAOYSA-N |
Chemical Property Profile of beta-Chloropivalic acid
Property Insights of beta-Chloropivalic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Chloropivalic acid. With a topological polar surface area (TPSA) of 37.3 Ų, beta-Chloropivalic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Chloropivalic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of beta-Chloropivalic acid?
The CAS number of beta-Chloropivalic acid is 13511-38-1.
What is the molecular formula of beta-Chloropivalic acid?
The molecular formula of beta-Chloropivalic acid is C5H9ClO2.
What is the molecular weight of beta-Chloropivalic acid?
The molecular weight of beta-Chloropivalic acid is 136.02911 g/mol.
Where can I buy beta-Chloropivalic acid?
You can request a quote for beta-Chloropivalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Chloropivalic acid?
Yes, CoreyChem provides custom synthesis services for beta-Chloropivalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.