1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride
TL;DR: 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride (CAS 3196-50-7) is a chemical compound with molecular formula C19H20ClN and molecular weight 297.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dimethyl-1-phenyl-9-azoniatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene chloride
Also Known As: 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolinium chloride, 1,4-DIHYDRO-2,3-DIMETHYL-4-PHENYL-1,4-ETHANOISOQUINOLIUM CHLORIDE, 1,4-Ethanoisoquinolinium, 1,4-dihydro-2,3-dimethyl-4-phenyl-, chloride, 9,10-dimethyl-1-phenyl-9-azoniatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene;chloride, 1,4-Ethanoisoquinolinium,1,4-dihydro-2,3-dimethyl-4-phenyl-,chloride
| Molecular Formula | C19H20ClN |
|---|---|
| Molecular Weight | 297.13 g/mol |
| LogP | 0.93 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.12842 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 3196-50-7 |
|---|---|
| SMILES | CC1=[N+](C2CCC1(C3=CC=CC=C23)C4=CC=CC=C4)C.[Cl-] |
| InChIKey | KMXCFLDVCWKIMR-UHFFFAOYSA-M |
Product Overview
1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride (CAS 3196-50-7), with molecular formula C19H20ClN and molecular weight 297.13 g/mol. IUPAC: 9,10-dimethyl-1-phenyl-9-azoniatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene chloride.
Chemical Property Profile of 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride
Property Insights of 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride
The XLogP value of 0.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride. With a topological polar surface area (TPSA) of 3.0 Ų, 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride 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 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride?
The CAS number of 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride is 3196-50-7.
What is the molecular formula of 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride?
The molecular formula of 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride is C19H20ClN.
What is the molecular weight of 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride?
The molecular weight of 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride is 297.13 g/mol.
Where can I buy 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride?
You can request a quote for 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydro-2,3-dimethyl-4-phenyl-1,4-ethanoisoquinolium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.