Ethyl 1H-azepine-1-carboxylate
TL;DR: Ethyl 1H-azepine-1-carboxylate (CAS 2955-79-5) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl azepine-1-carboxylate
Also Known As: N-Carbethoxyazepine, Ethyl 1H-azepine-1-carboxylate, N-ethoxycarbonylazepine, ethyl azepine-1-carboxylate, N-Ethoxycarbonyl-1H-azepine
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 2955-79-5 |
|---|---|
| SMILES | CCOC(=O)N1C=CC=CC=C1 |
| InChIKey | CABWYTRTVSNYIF-UHFFFAOYSA-N |
Product Overview
Ethyl 1H-azepine-1-carboxylate (CAS 2955-79-5), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: ethyl azepine-1-carboxylate.
Chemical Property Profile of Ethyl 1H-azepine-1-carboxylate
Property Insights of Ethyl 1H-azepine-1-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1H-azepine-1-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 1H-azepine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1H-azepine-1-carboxylate has 0 hydrogen bond donor(s) and 2 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 1H-azepine-1-carboxylate?
The CAS number of Ethyl 1H-azepine-1-carboxylate is 2955-79-5.
What is the molecular formula of Ethyl 1H-azepine-1-carboxylate?
The molecular formula of Ethyl 1H-azepine-1-carboxylate is C9H11NO2.
What is the molecular weight of Ethyl 1H-azepine-1-carboxylate?
The molecular weight of Ethyl 1H-azepine-1-carboxylate is 165.08 g/mol.
Where can I buy Ethyl 1H-azepine-1-carboxylate?
You can request a quote for Ethyl 1H-azepine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1H-azepine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1H-azepine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.