3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid
TL;DR: 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid (CAS 57464-35-4) is a chemical compound with molecular formula C17H22Cl2N2O and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]-3,4-dichlorobenzamide
Also Known As: cis-6-(3,4-Dichlorobenzamido)-2-methyldecahydroisoquinoline, BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-6-YL)-3,4-DICHLORO-, (cis)-, cis-N-(Decahydro-2-methylisoquinolin-6-yl)-3,4-dichlorobenzamide, 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid, N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]-3,4-dichlorobenzamide
| Molecular Formula | C17H22Cl2N2O |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.11093 |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 57464-35-4 |
|---|---|
| SMILES | CN1CC[C@H]2CC(CC[C@H]2C1)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | ATSKMBMRURKEBN-ULVQEXTCSA-N |
Product Overview
3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid (CAS 57464-35-4), with molecular formula C17H22Cl2N2O and molecular weight 340.11 g/mol. IUPAC: N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]-3,4-dichlorobenzamide.
Chemical Property Profile of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid
Property Insights of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid
The XLogP value of 4.0 indicates that 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-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-6-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-6-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
Frequently Asked Questions
What is the CAS number of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid?
The CAS number of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid is 57464-35-4.
What is the molecular formula of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid?
The molecular formula of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid is C17H22Cl2N2O.
What is the molecular weight of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid?
The molecular weight of 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid is 340.11 g/mol.
Where can I buy 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid?
You can request a quote for 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichloro-N-(2-methyldecahydroisoquinolin-6-yl)benzene-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.