Ethyl carfluzepate
TL;DR: Ethyl carfluzepate (CAS 65400-85-3) is a chemical compound with molecular formula C20H17ClFN3O4 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-chloro-5-(2-fluorophenyl)-1-(methylcarbamoyl)-2-oxo-3H-1,4-benzodiazepine-3-carboxylate
Also Known As: Ethyl carfluzepate, Ethylis carfluzepas, Carfluzepate d'ethyle, Carfluzepato de etilo, Ethyl
| Molecular Formula | C20H17ClFN3O4 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.08917 |
| Heavy Atoms | 29 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 65400-85-3 |
|---|---|
| SMILES | CCOC(=O)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)C(=O)NC |
| InChIKey | PUJLIQLPZOZCOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl carfluzepate (CAS 65400-85-3), with molecular formula C20H17ClFN3O4 and molecular weight 417.09 g/mol. IUPAC: ethyl 7-chloro-5-(2-fluorophenyl)-1-(methylcarbamoyl)-2-oxo-3H-1,4-benzodiazepine-3-carboxylate.
Chemical Property Profile of Ethyl carfluzepate
Property Insights of Ethyl carfluzepate
The XLogP value of 4.0 indicates that Ethyl carfluzepate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl carfluzepate. Following Lipinski's Rule of Five, Ethyl carfluzepate has 1 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 Ethyl carfluzepate?
The CAS number of Ethyl carfluzepate is 65400-85-3.
What is the molecular formula of Ethyl carfluzepate?
The molecular formula of Ethyl carfluzepate is C20H17ClFN3O4.
What is the molecular weight of Ethyl carfluzepate?
The molecular weight of Ethyl carfluzepate is 417.09 g/mol.
Where can I buy Ethyl carfluzepate?
You can request a quote for Ethyl carfluzepate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl carfluzepate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl carfluzepate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.