Phaentharine chloride
TL;DR: Phaentharine chloride (CAS 22297-48-9) is a chemical compound with molecular formula C39H40Cl2N2O6 and molecular weight 702.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Phaentharine chloride
1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium dichloride
Also Known As: Phaentharine chloride, Pheantharine dichloride, Phaeantharine dichloride, Isoquinolinium, 1-[[4-[5-[(6,7-dimethoxy-2-methyl-1-isoquinoliniumyl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-, dichloride, 1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)meth
| Molecular Formula | C39H40Cl2N2O6 |
|---|---|
| Molecular Weight | 702.23 g/mol |
| LogP | 0.67 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 702.2263 |
| Heavy Atoms | 49 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 22297-48-9 |
|---|---|
| SMILES | C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC.[Cl-].[Cl-] |
| InChIKey | ATHVKCMBCNQGIZ-UHFFFAOYSA-L |
Product Overview
Phaentharine chloride (CAS 22297-48-9), with molecular formula C39H40Cl2N2O6 and molecular weight 702.23 g/mol. IUPAC: 1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium dichloride.
Chemical Property Profile of Phaentharine chloride
Property Insights of Phaentharine chloride
The XLogP value of 0.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phaentharine chloride. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phaentharine chloride. Following Lipinski's Rule of Five, Phaentharine chloride has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phaentharine chloride?
The CAS number of Phaentharine chloride is 22297-48-9.
What is the molecular formula of Phaentharine chloride?
The molecular formula of Phaentharine chloride is C39H40Cl2N2O6.
What is the molecular weight of Phaentharine chloride?
The molecular weight of Phaentharine chloride is 702.23 g/mol.
Where can I buy Phaentharine chloride?
You can request a quote for Phaentharine chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phaentharine chloride?
Yes, KEHONG BIO provides custom synthesis services for Phaentharine chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.