![Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate structure](/static/products/904/90433-55-9.png)
Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate
TL;DR: Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate (CAS 90433-55-9) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(azepan-1-yl)ethoxy]benzoate
Also Known As: Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate, Methyl 4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]benzoate
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 2.728 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 408.23508 |
Chemical Identifiers
| CAS Number | 90433-55-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCCN2CCCCCC2 |
Product Overview
Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate (CAS 90433-55-9), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: methyl 4-[2-(azepan-1-yl)ethoxy]benzoate.
Chemical Property Profile of Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate
Property Insights of Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate
The XLogP value of 2.728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate. With a topological polar surface area (TPSA) of 38.77 Ų, Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate has 0 hydrogen bond donor(s) and 4 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 Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate?
The CAS number of Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate is 90433-55-9.
What is the molecular formula of Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate?
The molecular formula of Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate is C16H23NO3.
What is the molecular weight of Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate?
The molecular weight of Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate is 277.17 g/mol.
Where can I buy Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate?
You can request a quote for Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(azepan-1-yl)ethoxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.