Phaeantharine
TL;DR: Phaeantharine (CAS 27670-80-0) is a chemical compound with molecular formula C39H40N2O6+2 and molecular weight 632.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
Also Known As: Phaeantharine, Phaeanthrine, Pheantharine, Phaeantharine chloride, NCI60_002811
| Molecular Formula | C39H40N2O6+2 |
|---|---|
| Molecular Weight | 632.29 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 632.28864 |
| Heavy Atoms | 47 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 27670-80-0 |
|---|---|
| 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 |
| InChIKey | IWKHGZDMTOKGQP-UHFFFAOYSA-N |
Product Overview
Phaeantharine (CAS 27670-80-0), with molecular formula C39H40N2O6+2 and molecular weight 632.29 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.
Chemical Property Profile of Phaeantharine
Property Insights of Phaeantharine
The XLogP value of 7.8 indicates that Phaeantharine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phaeantharine. Following Lipinski's Rule of Five, Phaeantharine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phaeantharine?
The CAS number of Phaeantharine is 27670-80-0.
What is the molecular formula of Phaeantharine?
The molecular formula of Phaeantharine is C39H40N2O6+2.
What is the molecular weight of Phaeantharine?
The molecular weight of Phaeantharine is 632.29 g/mol.
Where can I buy Phaeantharine?
You can request a quote for Phaeantharine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phaeantharine?
Yes, KEHONG BIO provides custom synthesis services for Phaeantharine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.