Pakistanine
TL;DR: Pakistanine (CAS 41242-32-4) is a chemical compound with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR)-9-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
Also Known As: Pakistanine, J2.407.565F, (6ar)-9-(4-{[(1s)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-1,10-diol, 4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-9-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (R-(R*,S*))-, (6aR)-9-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
| Molecular Formula | C37H40N2O6 |
|---|---|
| Molecular Weight | 608.29 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 608.28864 |
| Heavy Atoms | 45 |
| Complexity | 979.0 |
Chemical Identifiers
| CAS Number | 41242-32-4 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=C(C=C43)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC |
| InChIKey | PJBCPYBIOOFQBE-URLMMPGGSA-N |
Product Overview
Pakistanine (CAS 41242-32-4), with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol. IUPAC: (6aR)-9-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol.
Chemical Property Profile of Pakistanine
Property Insights of Pakistanine
The XLogP value of 6.1 indicates that Pakistanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pakistanine. Following Lipinski's Rule of Five, Pakistanine has 2 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 Pakistanine?
The CAS number of Pakistanine is 41242-32-4.
What is the molecular formula of Pakistanine?
The molecular formula of Pakistanine is C37H40N2O6.
What is the molecular weight of Pakistanine?
The molecular weight of Pakistanine is 608.29 g/mol.
Where can I buy Pakistanine?
You can request a quote for Pakistanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pakistanine?
Yes, KEHONG BIO provides custom synthesis services for Pakistanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.