Metethoheptazine
TL;DR: Metethoheptazine (CAS 509-84-2) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-dimethyl-4-phenylazepane-4-carboxylate
Also Known As: Metethoheptazine, Metethoheptazinum, Metetoheptazina, Metethoheptazine [INN], ethyl 1,3-dimethyl-4-phenylazepane-4-carboxylate
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 509-84-2 |
|---|---|
| SMILES | CCOC(=O)C1(CCCN(CC1C)C)C2=CC=CC=C2 |
| InChIKey | BOSULDNQDJLKKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metethoheptazine (CAS 509-84-2), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: ethyl 1,3-dimethyl-4-phenylazepane-4-carboxylate.
Chemical Property Profile of Metethoheptazine
Property Insights of Metethoheptazine
The XLogP value of 3.3 indicates that Metethoheptazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Metethoheptazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metethoheptazine 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 Metethoheptazine?
The CAS number of Metethoheptazine is 509-84-2.
What is the molecular formula of Metethoheptazine?
The molecular formula of Metethoheptazine is C17H25NO2.
What is the molecular weight of Metethoheptazine?
The molecular weight of Metethoheptazine is 275.19 g/mol.
Where can I buy Metethoheptazine?
You can request a quote for Metethoheptazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metethoheptazine?
Yes, KEHONG BIO provides custom synthesis services for Metethoheptazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.