Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)-
TL;DR: Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)- (CAS 72469-08-0) is a chemical compound with molecular formula C17H24N2O and molecular weight 272.19 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]benzamide
Also Known As: 5-Benzamido-2-methyl-trans-decahydroisoquinoline, trans-N-(2-Methyldecahydroisoquinol-5-yl)benzamide, BENZAMIDE, N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-, (E)-, N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]benzamide, N-(2-Methyldecahydroisoquinolin-5-yl)benzenecarboximidic acid
| Molecular Formula | C17H24N2O |
|---|---|
| Molecular Weight | 272.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.18887 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 72469-08-0 |
|---|---|
| SMILES | CN1CC[C@H]2[C@H](C1)CCCC2NC(=O)C3=CC=CC=C3 |
| InChIKey | IVYNIYYTFLHWEX-KSCSMHSMSA-N |
Product Overview
Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)- (CAS 72469-08-0), with molecular formula C17H24N2O and molecular weight 272.19 g/mol. IUPAC: N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]benzamide.
Chemical Property Profile of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)-
Property Insights of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)-. With a topological polar surface area (TPSA) of 32.3 Ų, Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)- 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 Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)-?
The CAS number of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)- is 72469-08-0.
What is the molecular formula of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)-?
The molecular formula of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)- is C17H24N2O.
What is the molecular weight of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)-?
The molecular weight of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)- is 272.19 g/mol.
Where can I buy Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)-?
You can request a quote for Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.