Ethyl 4-phenyl-4-azepanecarboxylate
TL;DR: Ethyl 4-phenyl-4-azepanecarboxylate (CAS 113090-62-3) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-phenylazepane-4-carboxylate
Also Known As: Ethyl 4-phenyl-4-azepanecarboxylate, ethyl 4-phenylazepane-4-carboxylate, ethyl4-phenyl-4-azepanecarboxylate, NCI60_011706, Ethyl 4-phenylazacyclohept-4-ylcarboxylate hydrate [1:1]
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 113090-62-3 |
|---|---|
| SMILES | CCOC(=O)C1(CCCNCC1)C2=CC=CC=C2 |
| InChIKey | VUAIRCAKYUJYJY-UHFFFAOYSA-N |
Product Overview
Ethyl 4-phenyl-4-azepanecarboxylate (CAS 113090-62-3), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: ethyl 4-phenylazepane-4-carboxylate.
Chemical Property Profile of Ethyl 4-phenyl-4-azepanecarboxylate
Property Insights of Ethyl 4-phenyl-4-azepanecarboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-phenyl-4-azepanecarboxylate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 4-phenyl-4-azepanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 4-phenyl-4-azepanecarboxylate?
The CAS number of Ethyl 4-phenyl-4-azepanecarboxylate is 113090-62-3.
What is the molecular formula of Ethyl 4-phenyl-4-azepanecarboxylate?
The molecular formula of Ethyl 4-phenyl-4-azepanecarboxylate is C15H21NO2.
What is the molecular weight of Ethyl 4-phenyl-4-azepanecarboxylate?
The molecular weight of Ethyl 4-phenyl-4-azepanecarboxylate is 247.16 g/mol.
Where can I buy Ethyl 4-phenyl-4-azepanecarboxylate?
You can request a quote for Ethyl 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 4-phenyl-4-azepanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-phenyl-4-azepanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.