Thalictruberine
TL;DR: Thalictruberine (CAS 42971-15-3) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
Also Known As: Nantenine, Thalictruberine, Domestine, (+/-)-nantenine, O-Methyldomesticine
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 42971-15-3 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)OC)OC |
| InChIKey | WSVWKHTVFGTTKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thalictruberine (CAS 42971-15-3), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: 18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene.
Chemical Property Profile of Thalictruberine
Property Insights of Thalictruberine
The XLogP value of 3.2 indicates that Thalictruberine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, Thalictruberine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thalictruberine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thalictruberine?
The CAS number of Thalictruberine is 42971-15-3.
What is the molecular formula of Thalictruberine?
The molecular formula of Thalictruberine is C20H21NO4.
What is the molecular weight of Thalictruberine?
The molecular weight of Thalictruberine is 339.15 g/mol.
Where can I buy Thalictruberine?
You can request a quote for Thalictruberine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalictruberine?
Yes, KEHONG BIO provides custom synthesis services for Thalictruberine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.