Thalictropine
TL;DR: Thalictropine (CAS 39032-60-5) 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.
9-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Also Known As: THALICTROPINE, (+)-Thalictropine, 1-DESMETHYLTHALICARPINE, 9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-ol, Oc1c(OC)cc2CCN(C)C3Cc4cc(Oc5cc(OC)c(OC)cc5CC6N(C)CCc7cc(OC)c(OC)cc67)c(OC)cc4c1c23
| 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 | 39032-60-5 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)O)OC |
| InChIKey | DRACRVAKPKYPSB-UHFFFAOYSA-N |
Product Overview
Thalictropine (CAS 39032-60-5), with molecular formula C40H46N2O8 and molecular weight 682.33 g/mol. IUPAC: 9-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.
Chemical Property Profile of Thalictropine
Property Insights of Thalictropine
The XLogP value of 6.3 indicates that Thalictropine 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 Thalictropine. Following Lipinski's Rule of Five, Thalictropine 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 Thalictropine?
The CAS number of Thalictropine is 39032-60-5.
What is the molecular formula of Thalictropine?
The molecular formula of Thalictropine is C40H46N2O8.
What is the molecular weight of Thalictropine?
The molecular weight of Thalictropine is 682.33 g/mol.
Where can I buy Thalictropine?
You can request a quote for Thalictropine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalictropine?
Yes, KEHONG BIO provides custom synthesis services for Thalictropine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.