Zatebradine
TL;DR: Zatebradine (CAS 85175-67-3) is a chemical compound with molecular formula C26H36N2O5 and molecular weight 456.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
Also Known As: Zatebradine, Zatebradina, Zatebradinum, Zatebradine [INN], Zatabradine
| Molecular Formula | C26H36N2O5 |
|---|---|
| Molecular Weight | 456.26 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 456.26242 |
| Heavy Atoms | 33 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 85175-67-3 |
|---|---|
| SMILES | CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC |
| InChIKey | KEDQCFRVSHYKLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zatebradine (CAS 85175-67-3), with molecular formula C26H36N2O5 and molecular weight 456.26 g/mol. IUPAC: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one.
Chemical Property Profile of Zatebradine
Property Insights of Zatebradine
The XLogP value of 3.6 indicates that Zatebradine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Zatebradine. Following Lipinski's Rule of Five, Zatebradine has 0 hydrogen bond donor(s) and 6 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 Zatebradine?
The CAS number of Zatebradine is 85175-67-3.
What is the molecular formula of Zatebradine?
The molecular formula of Zatebradine is C26H36N2O5.
What is the molecular weight of Zatebradine?
The molecular weight of Zatebradine is 456.26 g/mol.
Where can I buy Zatebradine?
You can request a quote for Zatebradine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zatebradine?
Yes, KEHONG BIO provides custom synthesis services for Zatebradine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.