Thalicarpine
TL;DR: Thalicarpine (CAS 5373-42-2) is a chemical compound with molecular formula C41H48N2O8 and molecular weight 696.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-9-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Also Known As: THALICARPINE, Thaliblastine, Taliblastine, Thalicarpin, Taliblastin
| Molecular Formula | C41H48N2O8 |
|---|---|
| Molecular Weight | 696.34 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 696.34106 |
| Heavy Atoms | 51 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 5373-42-2 |
|---|---|
| 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)OC)OC)OC)OC)OC |
| InChIKey | ZCTJIMXXSXQXRI-KYJUHHDHSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thalicarpine (CAS 5373-42-2), with molecular formula C41H48N2O8 and molecular weight 696.34 g/mol. IUPAC: (6aS)-9-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
Chemical Property Profile of Thalicarpine
Property Insights of Thalicarpine
The XLogP value of 6.7 indicates that Thalicarpine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalicarpine. Following Lipinski's Rule of Five, Thalicarpine has 0 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 Thalicarpine?
The CAS number of Thalicarpine is 5373-42-2.
What is the molecular formula of Thalicarpine?
The molecular formula of Thalicarpine is C41H48N2O8.
What is the molecular weight of Thalicarpine?
The molecular weight of Thalicarpine is 696.34 g/mol.
Where can I buy Thalicarpine?
You can request a quote for Thalicarpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalicarpine?
Yes, KEHONG BIO provides custom synthesis services for Thalicarpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.