Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate
TL;DR: Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate (CAS 7512-08-5) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-oxo-4-phenylazepane-4-carboxylate
Also Known As: Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate, ETHYL 7-OXO-4-PHENYL-AZEPANE-4-CARBOXYLATE, ethyl 7-oxo-4-phenylazepane-4-carboxylate
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 7512-08-5 |
|---|---|
| SMILES | CCOC(=O)C1(CCC(=O)NCC1)C2=CC=CC=C2 |
| InChIKey | BSAYNGMOVKKEIQ-UHFFFAOYSA-N |
Product Overview
Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate (CAS 7512-08-5), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: ethyl 7-oxo-4-phenylazepane-4-carboxylate.
Chemical Property Profile of Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate
Property Insights of Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate has 1 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 Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate?
The CAS number of Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate is 7512-08-5.
What is the molecular formula of Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate?
The molecular formula of Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate is C15H19NO3.
What is the molecular weight of Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate?
The molecular weight of Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate is 261.14 g/mol.
Where can I buy Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate?
You can request a quote for Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-oxo-4-phenyl-4-azepanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.