(+)-Thalmelatine
TL;DR: (+)-Thalmelatine (CAS 5308-77-0) is a chemical compound with molecular formula C40H46N2O8 and molecular weight 682.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4,5-dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Also Known As: (+)-Thalmelatine, 1-{4,5-dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-9-yl)oxy]benzyl}-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol, 1-({4,5-Dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl}methyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol, 1-[[4,5-dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol, 7-Isoquinolinol, 1-((4,5-dimethyoxy-2-((5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, (S-(R*,R*))-
| Molecular Formula | C40H46N2O8 |
|---|---|
| Molecular Weight | 682.33 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 682.32544 |
| Heavy Atoms | 50 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 5308-77-0 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)OC)OC |
| InChIKey | XNEFHBQMDWILRU-UHFFFAOYSA-N |
Product Overview
(+)-Thalmelatine (CAS 5308-77-0), with molecular formula C40H46N2O8 and molecular weight 682.33 g/mol. IUPAC: 1-[[4,5-dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
Chemical Property Profile of (+)-Thalmelatine
Property Insights of (+)-Thalmelatine
The XLogP value of 6.3 indicates that (+)-Thalmelatine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Thalmelatine. Following Lipinski's Rule of Five, (+)-Thalmelatine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (+)-Thalmelatine?
The CAS number of (+)-Thalmelatine is 5308-77-0.
What is the molecular formula of (+)-Thalmelatine?
The molecular formula of (+)-Thalmelatine is C40H46N2O8.
What is the molecular weight of (+)-Thalmelatine?
The molecular weight of (+)-Thalmelatine is 682.33 g/mol.
Where can I buy (+)-Thalmelatine?
You can request a quote for (+)-Thalmelatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Thalmelatine?
Yes, KEHONG BIO provides custom synthesis services for (+)-Thalmelatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.