1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone
TL;DR: 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone (CAS 301692-41-1) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-(2-nitrophenoxy)ethanone
Also Known As: 1-(azepan-1-yl)-2-(2-nitrophenoxy)ethanone, 1-(azepan-1-yl)-2-(2-nitrophenoxy)ethan-1-one, VU0508961-1, 1-(1-azepanyl)-2-(o-nitrophenoxy)-1-ethanone, F3095-1645
| Molecular Formula | C14H18N2O4 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.12665 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 301692-41-1 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)COC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | KDBBFNBPRWUWQN-UHFFFAOYSA-N |
Product Overview
1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone (CAS 301692-41-1), with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol. IUPAC: 1-(azepan-1-yl)-2-(2-nitrophenoxy)ethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone
Property Insights of 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone 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 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone?
The CAS number of 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone is 301692-41-1.
What is the molecular formula of 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone?
The molecular formula of 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone is C14H18N2O4.
What is the molecular weight of 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone?
The molecular weight of 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone is 278.13 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone?
You can request a quote for 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-(2-nitrophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.