2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid
TL;DR: 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid (CAS 104703-38-0) is a chemical compound with molecular formula C10H9Cl2NO3 and molecular weight 260.99594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dichloro-N-(7-methyl-1,3-benzodioxol-5-yl)acetamide
Also Known As: 2,2-dichloro-n-(7-methyl-1,3-benzodioxol-5-yl)acetamide, 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid, 2,2-dichloro-N-(7-methylbenzo[d][1,3]dioxol-5-yl)acetamide, Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid
Technical Specifications
| Molecular Formula | C10H9Cl2NO3 |
| Molecular Weight | 260.99594 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.99594 Da |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
| SMILES | CC1=CC(=CC2=C1OCO2)NC(=O)C(Cl)Cl |
| InChIKey | IMCWRLPIECCNSU-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid
Property Insights of 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid. With a topological polar surface area (TPSA) of 47.6 Ų, 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid 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 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid?
The CAS number of 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid is 104703-38-0.
What is the molecular formula of 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid?
The molecular formula of 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid is C10H9Cl2NO3.
What is the molecular weight of 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid?
The molecular weight of 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid is 260.99594 g/mol.
Where can I buy 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid?
You can request a quote for 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid?
Yes, CoreyChem provides custom synthesis services for 2,2-Dichloro-N-(7-methyl-2H-1,3-benzodioxol-5-yl)ethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.