4-Chloro-1-(pyrrolidin-1-yl)butan-1-one
TL;DR: 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one (CAS 122867-43-0) is a chemical compound with molecular formula C8H14ClNO and molecular weight 175.07639 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-pyrrolidin-1-ylbutan-1-one
Also Known As: 4-chloro-1-(pyrrolidin-1-yl)butan-1-one, 1-(4-chloro-1-oxobutyl)pyrrolidine, 1(4-chloro-1-oxobutyl)pyrrolidine, 1-(4-CHLOROBUTANOYL)PYRROLIDINE, 4-chloro-1-pyrrolidin-1-ylbutan-1-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14ClNO |
| Molecular Weight | 175.07639 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.07639 Da |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| SMILES | C1CCN(C1)C(=O)CCCCl |
| InChIKey | OWZIEPLJGKVJOC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one
Property Insights of 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one?
The CAS number of 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one is 122867-43-0.
What is the molecular formula of 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one?
The molecular formula of 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one is C8H14ClNO.
What is the molecular weight of 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one?
The molecular weight of 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one is 175.07639 g/mol.
Where can I buy 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one?
You can request a quote for 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.