1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone
TL;DR: 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone (CAS 141426-16-6) is a chemical compound with molecular formula C20H22O5 and molecular weight 342.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-1-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)ethanone
Also Known As: 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone, 1-(2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecin-12-yl)-2-phenylethanone, 2-phenyl-1-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)ethanone
Technical Specifications
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.14673 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.14673 Da |
| Heavy Atoms | 25 |
| Complexity | 394.0 |
| SMILES | C1COCCOC2=C(C=CC(=C2)C(=O)CC3=CC=CC=C3)OCCO1 |
| InChIKey | LZLUQTZITUCWIV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone
Property Insights of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone. With a topological polar surface area (TPSA) of 54.0 Ų, 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone?
The CAS number of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone is 141426-16-6.
What is the molecular formula of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone?
The molecular formula of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone is C20H22O5.
What is the molecular weight of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone?
The molecular weight of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone is 342.14673 g/mol.
Where can I buy 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone?
You can request a quote for 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone?
Yes, CoreyChem provides custom synthesis services for 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.