Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)-
TL;DR: Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)- (CAS 72469-13-7) is a chemical compound with molecular formula C17H23N3O3 and molecular weight 317.17 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]-4-nitrobenzamide
Also Known As: trans-N-(2-Methyldecahydroisoquinol-5-yl)-4-nitrobenzamide, BENZAMIDE, N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-4-NITRO-, (E)-, N-(2-Methyldecahydroisoquinolin-5-yl)-4-nitrobenzamide, N-[(4aS,8aR)-2-Methyldecahydroisoquinolin-5-yl]-4-nitrobenzamide, N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-nitrobenzamide
| Molecular Formula | C17H23N3O3 |
|---|---|
| Molecular Weight | 317.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.17395 |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 72469-13-7 |
|---|---|
| SMILES | CN1CC[C@H]2[C@H](C1)CCCC2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | HRKMDSLEHKGZGW-JFXOEICMSA-N |
Product Overview
Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)- (CAS 72469-13-7), with molecular formula C17H23N3O3 and molecular weight 317.17 g/mol. IUPAC: N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-nitrobenzamide.
Chemical Property Profile of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)-
Property Insights of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)-. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)-. Following Lipinski's Rule of Five, Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)- 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 Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)-?
The CAS number of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)- is 72469-13-7.
What is the molecular formula of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)-?
The molecular formula of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)- is C17H23N3O3.
What is the molecular weight of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)-?
The molecular weight of Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)- is 317.17 g/mol.
Where can I buy Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)-?
You can request a quote for Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (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)-4-nitro-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-(2-methyldecahydroisoquinol-5-yl)-4-nitro-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.