Butanoic acid, 3-chloro-
TL;DR: Butanoic acid, 3-chloro- (CAS 1951-12-8) is a chemical compound with molecular formula C4H7ClO2 and molecular weight 122.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chlorobutanoic acid
Also Known As: 3-CHLOROBUTYRIC ACID, 3-Chlorobutanoic acid, Butanoic acid, 3-chloro-, beta-Chlorobutyric acid, Butyric acid, 3-chloro-
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7ClO2 |
| Molecular Weight | 122.01346 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.01346 Da |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
| SMILES | CC(CC(=O)O)Cl |
| InChIKey | XEEMVPPCXNTVNP-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, 3-chloro-
Property Insights of Butanoic acid, 3-chloro-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-chloro-. With a topological polar surface area (TPSA) of 37.3 Ų, Butanoic acid, 3-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-chloro- 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 Butanoic acid, 3-chloro-?
The CAS number of Butanoic acid, 3-chloro- is 1951-12-8.
What is the molecular formula of Butanoic acid, 3-chloro-?
The molecular formula of Butanoic acid, 3-chloro- is C4H7ClO2.
What is the molecular weight of Butanoic acid, 3-chloro-?
The molecular weight of Butanoic acid, 3-chloro- is 122.01346 g/mol.
Where can I buy Butanoic acid, 3-chloro-?
You can request a quote for Butanoic acid, 3-chloro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 3-chloro-?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 3-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.