Aporphine, 10-trifluoromethyl-, hydrochloride
TL;DR: Aporphine, 10-trifluoromethyl-, hydrochloride (CAS 66968-07-8) is a chemical compound with molecular formula C18H17ClF3N and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-6-methyl-10-(trifluoromethyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium chloride
Also Known As: 10-Trifluoromethylaporphine, APORPHINE, 10-TRIFLUOROMETHYL-, HYDROCHLORIDE, 4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-6-methyl-10-(trifluoromethyl)-, hydrochloride, RefChem:319936
| Molecular Formula | C18H17ClF3N |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 0.04 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 339.10016 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 66968-07-8 |
|---|---|
| SMILES | C[NH+]1CCC2=C3[C@@H]1CC4=C(C3=CC=C2)C=C(C=C4)C(F)(F)F.[Cl-] |
| InChIKey | JHNNBINHANHWTJ-NTISSMGPSA-N |
Product Overview
Aporphine, 10-trifluoromethyl-, hydrochloride (CAS 66968-07-8), with molecular formula C18H17ClF3N and molecular weight 339.10 g/mol. IUPAC: (6aS)-6-methyl-10-(trifluoromethyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium chloride.
Chemical Property Profile of Aporphine, 10-trifluoromethyl-, hydrochloride
Property Insights of Aporphine, 10-trifluoromethyl-, hydrochloride
The XLogP value of 0.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aporphine, 10-trifluoromethyl-, hydrochloride. With a topological polar surface area (TPSA) of 4.4 Ų, Aporphine, 10-trifluoromethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aporphine, 10-trifluoromethyl-, hydrochloride 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 Aporphine, 10-trifluoromethyl-, hydrochloride?
The CAS number of Aporphine, 10-trifluoromethyl-, hydrochloride is 66968-07-8.
What is the molecular formula of Aporphine, 10-trifluoromethyl-, hydrochloride?
The molecular formula of Aporphine, 10-trifluoromethyl-, hydrochloride is C18H17ClF3N.
What is the molecular weight of Aporphine, 10-trifluoromethyl-, hydrochloride?
The molecular weight of Aporphine, 10-trifluoromethyl-, hydrochloride is 339.10 g/mol.
Where can I buy Aporphine, 10-trifluoromethyl-, hydrochloride?
You can request a quote for Aporphine, 10-trifluoromethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aporphine, 10-trifluoromethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Aporphine, 10-trifluoromethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.