Pakistanamine
TL;DR: Pakistanamine (CAS 41242-31-3) is a chemical compound with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Also Known As: Pakistanamine, 2'-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one, 3-{4-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}-5',6'-dimethoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'h,4h-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one, Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-1'-methyl-3-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, 2 ,3 ,8 ,8 a-Tetrahydro-5 ,6 -dimethoxy-1 -methyl-3-[4-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline-1-yl)methyl]phenoxy]spiro[2,5-cyclohexadiene-1,7 (1 H)-cyclopenta[ij]isoquinoline]-4-one
| Molecular Formula | C38H42N2O6 |
|---|---|
| Molecular Weight | 622.30 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 622.30426 |
| Heavy Atoms | 46 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 41242-31-3 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C(=C4)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC |
| InChIKey | IAFYZOROUCWFHK-UHFFFAOYSA-N |
Product Overview
Pakistanamine (CAS 41242-31-3), with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol. IUPAC: 2'-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one.
Chemical Property Profile of Pakistanamine
Property Insights of Pakistanamine
The XLogP value of 6.1 indicates that Pakistanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pakistanamine. Following Lipinski's Rule of Five, Pakistanamine 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 Pakistanamine?
The CAS number of Pakistanamine is 41242-31-3.
What is the molecular formula of Pakistanamine?
The molecular formula of Pakistanamine is C38H42N2O6.
What is the molecular weight of Pakistanamine?
The molecular weight of Pakistanamine is 622.30 g/mol.
Where can I buy Pakistanamine?
You can request a quote for Pakistanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pakistanamine?
Yes, KEHONG BIO provides custom synthesis services for Pakistanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.