1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone
TL;DR: 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone (CAS 126079-95-6) is a chemical compound with molecular formula C26H26O5 and molecular weight 418.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diphenyl-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)-2,2-diphenylethanone, 1-(2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecin-12-yl)-2,2-diphenylethanone, 2,2-diphenyl-1-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)ethanone
| Molecular Formula | C26H26O5 |
|---|---|
| Molecular Weight | 418.18 g/mol |
| LogP | 4.5058 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.178 |
| Heavy Atoms | 31 |
| Complexity | 932.1022 |
Chemical Identifiers
| CAS Number | 126079-95-6 |
|---|---|
| SMILES | C1COCCOC2=C(C=CC(=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OCCO1 |
Product Overview
1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone (CAS 126079-95-6), with molecular formula C26H26O5 and molecular weight 418.18 g/mol. IUPAC: 2,2-diphenyl-1-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)ethanone.
Chemical Property Profile of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone
Property Insights of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone
The XLogP value of 4.5058 indicates that 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone 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)-2,2-diphenylethanone 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
Frequently Asked Questions
What is the CAS number of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone?
The CAS number of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone is 126079-95-6.
What is the molecular formula of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone?
The molecular formula of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone is C26H26O5.
What is the molecular weight of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone?
The molecular weight of 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone is 418.18 g/mol.
Where can I buy 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone?
You can request a quote for 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2,2-diphenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.