4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide
TL;DR: 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide (CAS 53525-91-0) 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-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-4-chlorobenzamide
Also Known As: cis-Decahydro-8-(4-chlorobenzamido)-2-methylisoquinoline, cis-4-Chloro-N-(decahydro-2-methylisoquinolin-8-yl)benzamide, 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide, Isoquinoline, decahydro-8-(4-chlorobenzamido)-2-methyl-, (Z)-, BENZAMIDE, 4-CHLORO-N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-, (cis)-
| Molecular Formula | C17H23ClN2O |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 3.6 |
| 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 | 368.0 |
Chemical Identifiers
| CAS Number | 53525-91-0 |
|---|---|
| SMILES | CN1CC[C@H]2CCCC([C@H]2C1)NC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | DKGLLPPJPAJWAE-AVPQSEQGSA-N |
Product Overview
4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide (CAS 53525-91-0), with molecular formula C17H23ClN2O and molecular weight 306.15 g/mol. IUPAC: N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-4-chlorobenzamide.
Chemical Property Profile of 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide
Property Insights of 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide
The XLogP value of 3.6 indicates that 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide 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 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide?
The CAS number of 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide is 53525-91-0.
What is the molecular formula of 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide?
The molecular formula of 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide is C17H23ClN2O.
What is the molecular weight of 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide?
The molecular weight of 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide is 306.15 g/mol.
Where can I buy 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide?
You can request a quote for 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(2-methyldecahydroisoquinolin-8-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.