![1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one structure](/static/products/850/85064-11-5.webp)
1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one
TL;DR: 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one (CAS 85064-11-5) is a chemical compound with molecular formula C23H28O7 and molecular weight 416.1835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)propan-1-one
Also Known As: 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one, 1-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)propan-1-one
Technical Specifications
| Molecular Formula | C23H28O7 |
| Molecular Weight | 416.1835 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.1835 Da |
| Heavy Atoms | 30 |
| Complexity | 486.0 |
| SMILES | CCC(=O)C1=CC2=C(C=C1)OCCOCCOC3=CC=CC=C3OCCOCCO2 |
| InChIKey | LMKOYXZMUWDXKW-UHFFFAOYSA-N |
Chemical Property Profile of 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one
Property Insights of 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one. Following Lipinski's Rule of Five, 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one has 0 hydrogen bond donor(s) and 7 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-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one?
The CAS number of 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one is 85064-11-5.
What is the molecular formula of 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one?
The molecular formula of 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one is C23H28O7.
What is the molecular weight of 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one?
The molecular weight of 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one is 416.1835 g/mol.
Where can I buy 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one?
You can request a quote for 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrobenzo[a]benzo[3,4-j][18] annulen-2-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.