1-O-Methylpakistanine
TL;DR: 1-O-Methylpakistanine (CAS 36418-13-0) 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.
(6aR)-9-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol
Also Known As: 1-O-Methylpakistanine, O1-Methylpakistanine, (+)-1-O-METHYLPAKISTANINE, METHYLPAKISTANINE, 1-O-, J2.416.641D
| Molecular Formula | C38H42N2O6 |
|---|---|
| Molecular Weight | 622.30 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 622.30426 |
| Heavy Atoms | 46 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 36418-13-0 |
|---|---|
| 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)OC)OC |
| InChIKey | XMPDJTPBQGEPGK-XZWHSSHBSA-N |
Product Overview
1-O-Methylpakistanine (CAS 36418-13-0), with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol. IUPAC: (6aR)-9-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol.
Chemical Property Profile of 1-O-Methylpakistanine
Property Insights of 1-O-Methylpakistanine
The XLogP value of 6.4 indicates that 1-O-Methylpakistanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-Methylpakistanine. Following Lipinski's Rule of Five, 1-O-Methylpakistanine has 1 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 1-O-Methylpakistanine?
The CAS number of 1-O-Methylpakistanine is 36418-13-0.
What is the molecular formula of 1-O-Methylpakistanine?
The molecular formula of 1-O-Methylpakistanine is C38H42N2O6.
What is the molecular weight of 1-O-Methylpakistanine?
The molecular weight of 1-O-Methylpakistanine is 622.30 g/mol.
Where can I buy 1-O-Methylpakistanine?
You can request a quote for 1-O-Methylpakistanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-Methylpakistanine?
Yes, KEHONG BIO provides custom synthesis services for 1-O-Methylpakistanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.