Methoxyadiantifoline
TL;DR: Methoxyadiantifoline (CAS 115452-09-0) is a chemical compound with molecular formula C43H52N2O10 and molecular weight 756.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-9-[4,5-dimethoxy-2-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Also Known As: Methoxyadiantifoline, 5 -Methoxyadiantifoline, (6aS)-9-[4,5-dimethoxy-2-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline, 4H-Dibenzo(de,g)quinoline, 9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-5,6,7-trimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-, (S-(R*,R*))-, (6aS)-9-(4,5-Dimethoxy-2-{[(1S)-5,6,7-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
| Molecular Formula | C43H52N2O10 |
|---|---|
| Molecular Weight | 756.36 g/mol |
| LogP | 7.0801 |
| Topological Polar Surface Area | 98.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 756.3622 |
| Heavy Atoms | 55 |
| Complexity | 2099.6409 |
Chemical Identifiers
| CAS Number | 115452-09-0 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C(=C7CCN6C)OC)OC)OC)OC)OC |
Product Overview
Methoxyadiantifoline (CAS 115452-09-0), with molecular formula C43H52N2O10 and molecular weight 756.36 g/mol. IUPAC: (6aS)-9-[4,5-dimethoxy-2-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
Chemical Property Profile of Methoxyadiantifoline
Property Insights of Methoxyadiantifoline
The XLogP value of 7.0801 indicates that Methoxyadiantifoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methoxyadiantifoline. Following Lipinski's Rule of Five, Methoxyadiantifoline has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methoxyadiantifoline?
The CAS number of Methoxyadiantifoline is 115452-09-0.
What is the molecular formula of Methoxyadiantifoline?
The molecular formula of Methoxyadiantifoline is C43H52N2O10.
What is the molecular weight of Methoxyadiantifoline?
The molecular weight of Methoxyadiantifoline is 756.36 g/mol.
Where can I buy Methoxyadiantifoline?
You can request a quote for Methoxyadiantifoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methoxyadiantifoline?
Yes, KEHONG BIO provides custom synthesis services for Methoxyadiantifoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.