Ethoheptazine
TL;DR: Ethoheptazine (CAS 77-15-6) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-4-phenylazepane-4-carboxylate
Also Known As: ETHOHEPTAZINE, Aethoheptazin, Ethyl heptazine, Zactane, Ethoheptazinum
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
| Melting Point | 122-124 |
| Boiling Point | 127-129 °C/0.5 MM HG |
| Density | 1.038 @ 26 °C |
| Refractive Index | 1.5210 @ 26 °C; 1.5220 @ 28 °C |
Chemical Identifiers
| CAS Number | 77-15-6 |
|---|---|
| SMILES | CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2 |
| InChIKey | WGJHHMKQBWSQIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethoheptazine (CAS 77-15-6), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: ethyl 1-methyl-4-phenylazepane-4-carboxylate.
Chemical Property Profile of Ethoheptazine
Property Insights of Ethoheptazine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethoheptazine. With a topological polar surface area (TPSA) of 29.5 Ų, Ethoheptazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethoheptazine has 0 hydrogen bond donor(s) and 3 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 Ethoheptazine?
The CAS number of Ethoheptazine is 77-15-6.
What is the molecular formula of Ethoheptazine?
The molecular formula of Ethoheptazine is C16H23NO2.
What is the molecular weight of Ethoheptazine?
The molecular weight of Ethoheptazine is 261.17 g/mol.
Where can I buy Ethoheptazine?
You can request a quote for Ethoheptazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoheptazine?
Yes, KEHONG BIO provides custom synthesis services for Ethoheptazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.