r-7-(2'-Acetoxyethyl)-2-oxepanone
TL;DR: r-7-(2'-Acetoxyethyl)-2-oxepanone (CAS 168416-67-9) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R)-7-oxooxepan-2-yl]ethyl acetate
Also Known As: 2-(7-oxooxepan-2-yl)ethyl acetate, r-7-(2'-acetoxyethyl)-2-oxepanone, 2-[(2R)-7-oxooxepan-2-yl]ethyl Acetate, J1.532.345K, Acetic acid 2-[(R)-7-oxohexahydrooxepin-2-yl]ethyl ester
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.4254 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 212.16754 |
Chemical Identifiers
| CAS Number | 168416-67-9 |
|---|---|
| SMILES | CC(=O)OCC[C@H]1CCCCC(=O)O1 |
Product Overview
r-7-(2'-Acetoxyethyl)-2-oxepanone (CAS 168416-67-9), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: 2-[(2R)-7-oxooxepan-2-yl]ethyl acetate.
Chemical Property Profile of r-7-(2'-Acetoxyethyl)-2-oxepanone
Property Insights of r-7-(2'-Acetoxyethyl)-2-oxepanone
The XLogP value of 1.4254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for r-7-(2'-Acetoxyethyl)-2-oxepanone. With a topological polar surface area (TPSA) of 52.6 Ų, r-7-(2'-Acetoxyethyl)-2-oxepanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, r-7-(2'-Acetoxyethyl)-2-oxepanone 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 r-7-(2'-Acetoxyethyl)-2-oxepanone?
The CAS number of r-7-(2'-Acetoxyethyl)-2-oxepanone is 168416-67-9.
What is the molecular formula of r-7-(2'-Acetoxyethyl)-2-oxepanone?
The molecular formula of r-7-(2'-Acetoxyethyl)-2-oxepanone is C10H16O4.
What is the molecular weight of r-7-(2'-Acetoxyethyl)-2-oxepanone?
The molecular weight of r-7-(2'-Acetoxyethyl)-2-oxepanone is 200.10 g/mol.
Where can I buy r-7-(2'-Acetoxyethyl)-2-oxepanone?
You can request a quote for r-7-(2'-Acetoxyethyl)-2-oxepanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for r-7-(2'-Acetoxyethyl)-2-oxepanone?
Yes, KEHONG BIO provides custom synthesis services for r-7-(2'-Acetoxyethyl)-2-oxepanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.