Propanoic acid, 3-chloro-, butyl ester
TL;DR: Propanoic acid, 3-chloro-, butyl ester (CAS 27387-79-7) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 3-chloropropanoate
Also Known As: Butyl 3-chloropropanoate, Butyl 3-chloropropionate, Propanoic acid, 3-chloro-, butyl ester, BUTYL3-CHLOROPROPANOATE, 3-Chloropropanoic acid butyl ester
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H13ClO2 |
| Molecular Weight | 164.06041 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 164.06041 Da |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
| SMILES | CCCCOC(=O)CCCl |
| InChIKey | KRZKQEQBZXWCDJ-UHFFFAOYSA-N |
Chemical Property Profile of Propanoic acid, 3-chloro-, butyl ester
Property Insights of Propanoic acid, 3-chloro-, butyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-chloro-, butyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 3-chloro-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-chloro-, butyl ester has 0 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 Propanoic acid, 3-chloro-, butyl ester?
The CAS number of Propanoic acid, 3-chloro-, butyl ester is 27387-79-7.
What is the molecular formula of Propanoic acid, 3-chloro-, butyl ester?
The molecular formula of Propanoic acid, 3-chloro-, butyl ester is C7H13ClO2.
What is the molecular weight of Propanoic acid, 3-chloro-, butyl ester?
The molecular weight of Propanoic acid, 3-chloro-, butyl ester is 164.06041 g/mol.
Where can I buy Propanoic acid, 3-chloro-, butyl ester?
You can request a quote for Propanoic acid, 3-chloro-, butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanoic acid, 3-chloro-, butyl ester?
Yes, CoreyChem provides custom synthesis services for Propanoic acid, 3-chloro-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.