Tonabersat
TL;DR: Tonabersat (CAS 175013-84-0) is a chemical compound with molecular formula C20H19ClFNO4 and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-chloro-4-fluorobenzamide
Also Known As: Tonabersat, N-(6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-chloro-4-fluorobenzamide, N-[(3S,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chloro-4-fluorobenzamide
| Molecular Formula | C20H19ClFNO4 |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 3.6847 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.09866 |
| Heavy Atoms | 27 |
| Complexity | 928.1929 |
Chemical Identifiers
| CAS Number | 175013-84-0 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)OC(C(C2NC(=O)C3=CC(=C(C=C3)F)Cl)O)(C)C |
Product Overview
Tonabersat (CAS 175013-84-0), with molecular formula C20H19ClFNO4 and molecular weight 391.10 g/mol. IUPAC: N-(6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-chloro-4-fluorobenzamide.
Chemical Property Profile of Tonabersat
Property Insights of Tonabersat
The XLogP value of 3.6847 indicates that Tonabersat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Tonabersat. Following Lipinski's Rule of Five, Tonabersat has 2 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 Tonabersat?
The CAS number of Tonabersat is 175013-84-0.
What is the molecular formula of Tonabersat?
The molecular formula of Tonabersat is C20H19ClFNO4.
What is the molecular weight of Tonabersat?
The molecular weight of Tonabersat is 391.10 g/mol.
Where can I buy Tonabersat?
You can request a quote for Tonabersat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tonabersat?
Yes, KEHONG BIO provides custom synthesis services for Tonabersat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.