Thalifaurine
TL;DR: Thalifaurine (CAS 75491-95-1) is a chemical compound with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14,16,18-octaen-17-ol chloride
Also Known As: Thalifaurine, 3-Hydroxy-2-methoxy-10,11-methylenedioxyberbinium chloride, Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy-, chloride, Benzo[a][1,3]benzodioxolo[5,6-g]quinolizinium,5,6-dihydro-3-hydroxy-2-methoxy-, chloride (9CI), RefChem:189070
| Molecular Formula | C19H16ClNO4 |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | -0.2027 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.07678 |
| Heavy Atoms | 25 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 75491-95-1 |
|---|---|
| SMILES | COC1=C(C=C2CC[N+]3=CC4=CC5=C(C=C4C=C3C2=C1)OCO5)O.[Cl-] |
| InChIKey | LYTLUWXUPLTDQF-UHFFFAOYSA-N |
Product Overview
Thalifaurine (CAS 75491-95-1), with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol. IUPAC: 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14,16,18-octaen-17-ol chloride.
Chemical Property Profile of Thalifaurine
Property Insights of Thalifaurine
The XLogP value of -0.2027 indicates that Thalifaurine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.8 Ų, Thalifaurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thalifaurine has 1 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 Thalifaurine?
The CAS number of Thalifaurine is 75491-95-1.
What is the molecular formula of Thalifaurine?
The molecular formula of Thalifaurine is C19H16ClNO4.
What is the molecular weight of Thalifaurine?
The molecular weight of Thalifaurine is 357.08 g/mol.
Where can I buy Thalifaurine?
You can request a quote for Thalifaurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalifaurine?
Yes, KEHONG BIO provides custom synthesis services for Thalifaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.