N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
TL;DR: N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide (CAS 52793-11-0) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-chloro-2-methoxyphenyl)-3-oxobutanamide
Also Known As: n-(5-chloro-2-methoxyphenyl)-3-oxobutanamide, N- -3-oxobutanamide, 5'-Chloro-2'-methoxyacetoacetanilide, Acetoacet-5-chloro-2-methoxyanilide, 2,3-Dimethoxy-1,4-benzoquinone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.05057 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.05057 Da |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
| SMILES | CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)OC |
| InChIKey | HSGGSKCDDPPKMD-UHFFFAOYSA-N |
Chemical Property Profile of N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
Property Insights of N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide. With a topological polar surface area (TPSA) of 55.4 Ų, N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide?
The CAS number of N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide is 52793-11-0.
What is the molecular formula of N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide?
The molecular formula of N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide is C11H12ClNO3.
What is the molecular weight of N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide?
The molecular weight of N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide is 241.05057 g/mol.
Where can I buy N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide?
You can request a quote for N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide?
Yes, CoreyChem provides custom synthesis services for N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.