4'-Acetylbenzo-15-crown 5-Ether
TL;DR: 4'-Acetylbenzo-15-crown 5-Ether (CAS 41757-95-3) is a chemical compound with molecular formula C16H22O6 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanone
Also Known As: 4'-Acetylbenzo-15-crown 5-Ether, Cetylbenzo-15-crown-5, 10-Hydroxywarfarin, 4-Acetylbenzo-15-crown 5-Ether, 4'-acetylbenzo-15-crown-5
| Molecular Formula | C16H22O6 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 1.7102 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.14163 |
| Heavy Atoms | 22 |
| Complexity | 473.7039 |
Chemical Identifiers
| CAS Number | 41757-95-3 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCO2 |
Product Overview
4'-Acetylbenzo-15-crown 5-Ether (CAS 41757-95-3), with molecular formula C16H22O6 and molecular weight 310.14 g/mol. IUPAC: 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanone.
Chemical Property Profile of 4'-Acetylbenzo-15-crown 5-Ether
Property Insights of 4'-Acetylbenzo-15-crown 5-Ether
The XLogP value of 1.7102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Acetylbenzo-15-crown 5-Ether. The TPSA of 63.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Acetylbenzo-15-crown 5-Ether. Following Lipinski's Rule of Five, 4'-Acetylbenzo-15-crown 5-Ether has 0 hydrogen bond donor(s) and 6 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 4'-Acetylbenzo-15-crown 5-Ether?
The CAS number of 4'-Acetylbenzo-15-crown 5-Ether is 41757-95-3.
What is the molecular formula of 4'-Acetylbenzo-15-crown 5-Ether?
The molecular formula of 4'-Acetylbenzo-15-crown 5-Ether is C16H22O6.
What is the molecular weight of 4'-Acetylbenzo-15-crown 5-Ether?
The molecular weight of 4'-Acetylbenzo-15-crown 5-Ether is 310.14 g/mol.
Where can I buy 4'-Acetylbenzo-15-crown 5-Ether?
You can request a quote for 4'-Acetylbenzo-15-crown 5-Ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Acetylbenzo-15-crown 5-Ether?
Yes, KEHONG BIO provides custom synthesis services for 4'-Acetylbenzo-15-crown 5-Ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.