3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid
TL;DR: 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid (CAS 72469-16-0) is a chemical compound with molecular formula C17H23ClN2O and molecular weight 306.15 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-5-yl]-3-chlorobenzamide
Also Known As: trans-3-Chloro-N-(2-methyldecahydroisoquinol-5-yl)benzamide, BENZAMIDE, 3-CHLORO-N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-, (E)-, 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid, 3-Chloro-N-[(4aS,8aR)-2-methyldecahydroisoquinolin-5-yl]benzene-1-carboximidic acid, N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3-chlorobenzamide
| Molecular Formula | C17H23ClN2O |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.1499 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 72469-16-0 |
|---|---|
| SMILES | CN1CC[C@H]2[C@H](C1)CCCC2NC(=O)C3=CC(=CC=C3)Cl |
| InChIKey | JURJKXLIZOFODL-JFXOEICMSA-N |
Product Overview
3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid (CAS 72469-16-0), with molecular formula C17H23ClN2O and molecular weight 306.15 g/mol. IUPAC: N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-3-chlorobenzamide.
Chemical Property Profile of 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid
Property Insights of 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid
The XLogP value of 3.4 indicates that 3-Chloro-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-Chloro-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-Chloro-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
Frequently Asked Questions
What is the CAS number of 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid?
The CAS number of 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid is 72469-16-0.
What is the molecular formula of 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid?
The molecular formula of 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid is C17H23ClN2O.
What is the molecular weight of 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid?
The molecular weight of 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid is 306.15 g/mol.
Where can I buy 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid?
You can request a quote for 3-Chloro-N-(2-methyldecahydroisoquinolin-5-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-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-N-(2-methyldecahydroisoquinolin-5-yl)benzene-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.