3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid
TL;DR: 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid (CAS 53525-85-2) is a chemical compound with molecular formula C19H28N2O3 and molecular weight 332.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4-dimethoxybenzamide
Also Known As: cis-Decahydro-(3,4-dimethoxybenzamido)-2-methylisoquinoline, Isoquinoline, decahydro-8-(3,4-dimethoxybenzamido)-2-methyl-, (Z)-, cis-N-(Decahydro-2-methylisoquinolin-8-yl)-3,4-dimethoxybenzamide, BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-3,4-DIMETHOXY-, (cis)-, 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid
| Molecular Formula | C19H28N2O3 |
|---|---|
| Molecular Weight | 332.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.21 |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 53525-85-2 |
|---|---|
| SMILES | CN1CC[C@H]2CCCC([C@H]2C1)NC(=O)C3=CC(=C(C=C3)OC)OC |
| InChIKey | BXGJICGWWAZXKR-YISXUXMPSA-N |
Product Overview
3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid (CAS 53525-85-2), with molecular formula C19H28N2O3 and molecular weight 332.21 g/mol. IUPAC: N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4-dimethoxybenzamide.
Chemical Property Profile of 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid
Property Insights of 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid. With a topological polar surface area (TPSA) of 50.8 Ų, 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid 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
Frequently Asked Questions
What is the CAS number of 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid?
The CAS number of 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid is 53525-85-2.
What is the molecular formula of 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid?
The molecular formula of 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid is C19H28N2O3.
What is the molecular weight of 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid?
The molecular weight of 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid is 332.21 g/mol.
Where can I buy 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid?
You can request a quote for 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-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-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.