4-chloro-N,N-dimethylbutyramide
TL;DR: 4-chloro-N,N-dimethylbutyramide (CAS 22813-58-7) is a chemical compound with molecular formula C6H12ClNO and molecular weight 149.06075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N,N-dimethylbutanamide
Also Known As: 4-chloro-N,N-dimethylbutanamide, 4-Chloro-N,N-dimethylbutyramide, Butanamide, 4-chloro-N,N-dimethyl-, N,N-DIMETHYL-4-CHLOROBUTANAMIDE, N,N-dimethyl-4-chlorobutyramide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12ClNO |
| Molecular Weight | 149.06075 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.06075 Da |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
| SMILES | CN(C)C(=O)CCCCl |
| InChIKey | FYVXMHXMWHEEHI-UHFFFAOYSA-N |
Chemical Property Profile of 4-chloro-N,N-dimethylbutyramide
Property Insights of 4-chloro-N,N-dimethylbutyramide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N,N-dimethylbutyramide. With a topological polar surface area (TPSA) of 20.3 Ų, 4-chloro-N,N-dimethylbutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N,N-dimethylbutyramide 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-N,N-dimethylbutyramide?
The CAS number of 4-chloro-N,N-dimethylbutyramide is 22813-58-7.
What is the molecular formula of 4-chloro-N,N-dimethylbutyramide?
The molecular formula of 4-chloro-N,N-dimethylbutyramide is C6H12ClNO.
What is the molecular weight of 4-chloro-N,N-dimethylbutyramide?
The molecular weight of 4-chloro-N,N-dimethylbutyramide is 149.06075 g/mol.
Where can I buy 4-chloro-N,N-dimethylbutyramide?
You can request a quote for 4-chloro-N,N-dimethylbutyramide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-chloro-N,N-dimethylbutyramide?
Yes, CoreyChem provides custom synthesis services for 4-chloro-N,N-dimethylbutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.