Thalifendine chloride
TL;DR: Thalifendine chloride (CAS 4668-19-3) 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-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-17-ol chloride
Also Known As: Thalifendine, Thalifendine chloride, Thalifendine (chloride), HY-N2023A, Berberine Demethylation Impurity1
| 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 | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.07678 |
| Heavy Atoms | 25 |
| Complexity | 1002.616 |
Chemical Identifiers
| CAS Number | 4668-19-3 |
|---|---|
| SMILES | COC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)O.[Cl-] |
Product Overview
Thalifendine chloride (CAS 4668-19-3), with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol. IUPAC: 16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-17-ol chloride.
Chemical Property Profile of Thalifendine chloride
Property Insights of Thalifendine chloride
The XLogP value of -0.2027 indicates that Thalifendine chloride 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, Thalifendine chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thalifendine chloride has 1 hydrogen bond donor(s) and 4 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 Thalifendine chloride?
The CAS number of Thalifendine chloride is 4668-19-3.
What is the molecular formula of Thalifendine chloride?
The molecular formula of Thalifendine chloride is C19H16ClNO4.
What is the molecular weight of Thalifendine chloride?
The molecular weight of Thalifendine chloride is 357.08 g/mol.
Where can I buy Thalifendine chloride?
You can request a quote for Thalifendine chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalifendine chloride?
Yes, KEHONG BIO provides custom synthesis services for Thalifendine chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.