Thalflavidine
TL;DR: Thalflavidine (CAS 66834-83-1) is a chemical compound with molecular formula C22H21NO6 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[2-(dimethylamino)ethyl]-13,14-dimethoxy-3,5,16-trioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,9,11,13,15(19)-heptaen-17-one
Also Known As: Thalflavidine, 2-Methoxythaliglucinone, 10H-(1,3)Dioxolo(6,7)phenanthro(4,5-bcd)pyran-10-one, 3-(2-(dimethylamino)ethyl)-1,2-dimethoxy-, 12-(2-(dimethylamino)ethyl)-13,14-dimethoxy-3,5,16-trioxapentacyclo(9.6.2.02,6.08,18.015,19)nonadeca-1(18),2(6),7,9,11,13,15(19)-heptaen-17-one, 12-[2-(dimethylamino)ethyl]-13,14-dimethoxy-3,5,16-trioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,9,11,13,15(19)-heptaen-17-one
| Molecular Formula | C22H21NO6 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.1369 |
| Heavy Atoms | 29 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 66834-83-1 |
|---|---|
| SMILES | CN(C)CCC1=C2C=CC3=CC4=C(C5=C3C2=C(C(=C1OC)OC)OC5=O)OCO4 |
| InChIKey | KCEUUUCPDCYSTM-UHFFFAOYSA-N |
Product Overview
Thalflavidine (CAS 66834-83-1), with molecular formula C22H21NO6 and molecular weight 395.14 g/mol. IUPAC: 12-[2-(dimethylamino)ethyl]-13,14-dimethoxy-3,5,16-trioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,9,11,13,15(19)-heptaen-17-one.
Chemical Property Profile of Thalflavidine
Property Insights of Thalflavidine
The XLogP value of 4.0 indicates that Thalflavidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalflavidine. Following Lipinski's Rule of Five, Thalflavidine has 0 hydrogen bond donor(s) and 7 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 Thalflavidine?
The CAS number of Thalflavidine is 66834-83-1.
What is the molecular formula of Thalflavidine?
The molecular formula of Thalflavidine is C22H21NO6.
What is the molecular weight of Thalflavidine?
The molecular weight of Thalflavidine is 395.14 g/mol.
Where can I buy Thalflavidine?
You can request a quote for Thalflavidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalflavidine?
Yes, KEHONG BIO provides custom synthesis services for Thalflavidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.