Ethoheptazine
TL;DR: Ethoheptazine (CAS 77-15-6) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-methyl-4-phenylazepane-4-carboxylate
Also Known As: ETHOHEPTAZINE, Aethoheptazin, Ethyl heptazine, Zactane, Ethoheptazinum
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H23NO2 |
| Molecular Weight | 261.17288 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.17288 Da |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
| Melting Point | 122-124 |
| Boiling Point | 127-129 °C/0.5 MM HG |
| Density | 1.038 @ 26 °C/4 °C |
| Refractive Index | INDEX OF REFRACTION: 1.5210 @ 26 °C/D; 1.5220 @ 28 °C/D |
| SMILES | CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2 |
| InChIKey | WGJHHMKQBWSQIY-UHFFFAOYSA-N |
Product Description
Applications: Ethoheptazine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethoheptazine (CAS 77-15-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ethoheptazine is a pharmaceutical intermediate identified by CAS number 77-15-6 and the molecular formula C16H23NO2 and a molecular weight of 261.17 g/mol. Physically, the compound has a density of 1.038 @ 26 °C/4 °C g/cm³. It is also known as ETHOHEPTAZINE and Aethoheptazin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 261.17288 g/mol.
What are the applications of Ethoheptazine?
Ethoheptazine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethoheptazine (CAS 77-15-6) with custom...
Where can I buy Ethoheptazine?
You can request a quote for Ethoheptazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethoheptazine?
Yes, CoreyChem provides custom synthesis services for Ethoheptazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.