Thalipine
TL;DR: Thalipine (CAS 62724-08-7) is a chemical compound with molecular formula C39H44N2O8 and molecular weight 668.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-5-hydroxy-4-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Also Known As: Thalipine, 2-Ethylhexyl isocyanatocarbonate, 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((5-hydroxy-4-methoxy-2-((5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenyl)methyl)-6-methoxy-2-methyl-, (S-(R*,R*))-, (S-(R*,R*))-1,2,3,4-Tetrahydro-1-((5-hydroxy-4-methoxy-2-((5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinol, (1S)-1-[(5-Hydroxy-4-methoxy-2-{[(6aS)-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
| Molecular Formula | C39H44N2O8 |
|---|---|
| Molecular Weight | 668.31 g/mol |
| LogP | 6.4569 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 668.30975 |
| Heavy Atoms | 49 |
| Complexity | 1924.6692 |
Chemical Identifiers
| CAS Number | 62724-08-7 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O)O)OC)OC)OC |
Product Overview
Thalipine (CAS 62724-08-7), with molecular formula C39H44N2O8 and molecular weight 668.31 g/mol. IUPAC: (1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-5-hydroxy-4-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
Chemical Property Profile of Thalipine
Property Insights of Thalipine
The XLogP value of 6.4569 indicates that Thalipine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalipine. Following Lipinski's Rule of Five, Thalipine has 2 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 Thalipine?
The CAS number of Thalipine is 62724-08-7.
What is the molecular formula of Thalipine?
The molecular formula of Thalipine is C39H44N2O8.
What is the molecular weight of Thalipine?
The molecular weight of Thalipine is 668.31 g/mol.
Where can I buy Thalipine?
You can request a quote for Thalipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalipine?
Yes, KEHONG BIO provides custom synthesis services for Thalipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.