3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid
TL;DR: 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid (CAS 72469-11-5) is a chemical compound with molecular formula C17H22Cl2N2O and molecular weight 340.11093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3,4-dichlorobenzamide
Also Known As: trans-3,4-Dichloro-N-(2-methyldecahydroisoquinol-5-yl)benzamide, BENZAMIDE, 3,4-DICHLORO-N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-, (E)-, 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid, 3,4-Dichloro-N-[(4aR,8aS)-2-methyldecahydroisoquinolin-5-yl]benzene-1-carboximidic acid, N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3,4-dichlorobenzamide
Technical Specifications
| Molecular Formula | C17H22Cl2N2O |
| Molecular Weight | 340.11093 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.11093 Da |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
| SMILES | CN1CC[C@@H]2[C@@H](C1)CCCC2NC(=O)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | QEHYKCMIGAKKMG-SXMVJOELSA-N |
Chemical Property Profile of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid
Property Insights of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid
The XLogP value of 4.0 indicates that 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid?
The CAS number of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid is 72469-11-5.
What is the molecular formula of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid?
The molecular formula of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid is C17H22Cl2N2O.
What is the molecular weight of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid?
The molecular weight of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid is 340.11093 g/mol.
Where can I buy 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid?
You can request a quote for 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid?
Yes, CoreyChem provides custom synthesis services for 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.