Northalibroline
TL;DR: Northalibroline (CAS 120091-64-7) is a chemical compound with molecular formula C35H38N2O6 and molecular weight 582.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S)-1-[[4-hydroxy-3-[4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-ol
Also Known As: Northalibroline, Demethylnorthalibrine, northalifoline, 2-(4-hexoxyphenyl)-5-octoxypyrimidine, 2-(4-dodecoxyphenyl)-5-octoxypyrimidine
| Molecular Formula | C35H38N2O6 |
|---|---|
| Molecular Weight | 582.27 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.273 |
| Heavy Atoms | 43 |
| Complexity | 871.0 |
Chemical Identifiers
| CAS Number | 120091-64-7 |
|---|---|
| SMILES | CN1[C@H](CC2=C([C@@H]1CC3=CC(=C(C=C3)O)OC4=CC=C(C=C4)CC5C6=CC(=C(C=C6CCN5)OC)O)C=CC(=C2)OC)O |
| InChIKey | GREGWBBWKKBCEU-PWXALIIZSA-N |
Product Overview
Northalibroline (CAS 120091-64-7), with molecular formula C35H38N2O6 and molecular weight 582.27 g/mol. IUPAC: (1S,3S)-1-[[4-hydroxy-3-[4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-ol.
Chemical Property Profile of Northalibroline
Property Insights of Northalibroline
The XLogP value of 5.4 indicates that Northalibroline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Northalibroline. Following Lipinski's Rule of Five, Northalibroline has 4 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 Northalibroline?
The CAS number of Northalibroline is 120091-64-7.
What is the molecular formula of Northalibroline?
The molecular formula of Northalibroline is C35H38N2O6.
What is the molecular weight of Northalibroline?
The molecular weight of Northalibroline is 582.27 g/mol.
Where can I buy Northalibroline?
You can request a quote for Northalibroline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Northalibroline?
Yes, KEHONG BIO provides custom synthesis services for Northalibroline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.