N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide
TL;DR: N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide (CAS 1024126-61-1) is a chemical compound with molecular formula C12H12ClNO4 and molecular weight 269.04547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloropropanamide
Also Known As: N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloropropanamide, N-(6-ACETYLBENZO[D]1,3-DIOXOLAN-5-YL)-2-CHLOROPROPANAMIDE, N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-propanamide, N-(6-acetylbenzo[1,3]dioxol-5-yl)-2-chloro-propanamide
Technical Specifications
| Molecular Formula | C12H12ClNO4 |
| Molecular Weight | 269.04547 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.04547 Da |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
| SMILES | CC(C(=O)NC1=CC2=C(C=C1C(=O)C)OCO2)Cl |
| InChIKey | CJSBXSOARSEWRK-UHFFFAOYSA-N |
Chemical Property Profile of N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide
Property Insights of N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide. Following Lipinski's Rule of Five, N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide has 1 hydrogen bond donor(s) and 4 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-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide?
The CAS number of N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide is 1024126-61-1.
What is the molecular formula of N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide?
The molecular formula of N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide is C12H12ClNO4.
What is the molecular weight of N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide?
The molecular weight of N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide is 269.04547 g/mol.
Where can I buy N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide?
You can request a quote for N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide?
Yes, CoreyChem provides custom synthesis services for N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-chloropropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.