阿樸啡
TL;DR: 阿樸啡 (CAS 478-57-9) is a chemical compound with molecular formula C17H17N and molecular weight 235.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿樸啡
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Also Known As: Aporphine, 6-methylaporphane, 6-Methyl-aporphan, 6-METHYLNORAPORPHINE, (+/-)-APORPHINE
| Molecular Formula | C17H17N |
|---|---|
| Molecular Weight | 235.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.1361 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 478-57-9 |
|---|---|
| SMILES | CN1CCC2=C3C1CC4=CC=CC=C4C3=CC=C2 |
| InChIKey | BZKUYNBAFQJRDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿樸啡 (CAS 478-57-9), with molecular formula C17H17N and molecular weight 235.14 g/mol. IUPAC: 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
Chemical Property Profile of 阿樸啡
Property Insights of 阿樸啡
The XLogP value of 3.0 indicates that 阿樸啡 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 阿樸啡 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿樸啡 has 0 hydrogen bond donor(s) and 1 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 阿樸啡?
The CAS number of 阿樸啡 is 478-57-9.
What is the molecular formula of 阿樸啡?
The molecular formula of 阿樸啡 is C17H17N.
What is the molecular weight of 阿樸啡?
The molecular weight of 阿樸啡 is 235.14 g/mol.
Where can I buy 阿樸啡?
You can request a quote for 阿樸啡 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿樸啡?
Yes, KEHONG BIO provides custom synthesis services for 阿樸啡 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.