(6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone
TL;DR: (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone (CAS 5754-59-6) is a chemical compound with molecular formula C44H52N2O12 and molecular weight 800.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone
Also Known As: (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone, [14-(6-Hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbonyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl](6-hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydroisoquinolin-2(1H)-yl)methanone, 6-hydroxy-7-methoxy-1-methyl(2-1,2,3,4,4a,8a-hexahydroisoquinolyl) 14-[(6-hydr oxy-7-methoxy-1-methyl(2-1,2,3,4-tetrahydroisoquinolyl))carbonyl](5,6,7,8,9,10 ,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18]annulen-2-yl) k etone
| Molecular Formula | C44H52N2O12 |
|---|---|
| Molecular Weight | 800.35 g/mol |
| LogP | 5.8751 |
| Topological Polar Surface Area | 154.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 800.35205 |
| Heavy Atoms | 58 |
| Complexity | 2031.1742 |
Chemical Identifiers
| CAS Number | 5754-59-6 |
|---|---|
| SMILES | CC1C2C=C(C(=CC2CCN1C(=O)C3=CC4=C(C=C3)OCCOCCOC5=C(C=C(C=C5)C(=O)N6CCC7=CC(=C(C=C7C6C)OC)O)OCCOCCO4)O)OC |
Product Overview
(6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone (CAS 5754-59-6), with molecular formula C44H52N2O12 and molecular weight 800.35 g/mol. IUPAC: (6-hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone.
Chemical Property Profile of (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone
Property Insights of (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone
The XLogP value of 5.8751 indicates that (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.92 Ų indicates high polarity, suggesting (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone has 2 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 (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone?
The CAS number of (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone is 5754-59-6.
What is the molecular formula of (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone?
The molecular formula of (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone is C44H52N2O12.
What is the molecular weight of (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone?
The molecular weight of (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone is 800.35 g/mol.
Where can I buy (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone?
You can request a quote for (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (6-Hydroxy-7-methoxy-1-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-[25-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.