AT-057/41675266
TL;DR: AT-057/41675266 (CAS 1024415-87-9) is a chemical compound with molecular formula C25H36O8 and molecular weight 464.24103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ditert-butyl 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AT-057/41675266, di-tert-butyl 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, ditert-butyl 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 1,3-DI-TERT-BUTYL 2-(3-ETHOXY-4-HYDROXYPHENYL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE, di(tert-butyl) 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
Technical Specifications
| Molecular Formula | C25H36O8 |
| Molecular Weight | 464.24103 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.24103 Da |
| Heavy Atoms | 33 |
| Complexity | 734.0 |
| SMILES | CCOC1=C(C=CC(=C1)C2C(C(=O)CC(C2C(=O)OC(C)(C)C)(C)O)C(=O)OC(C)(C)C)O |
| InChIKey | QUIVIEMPYZHWBY-UHFFFAOYSA-N |
Chemical Property Profile of AT-057/41675266
Property Insights of AT-057/41675266
The XLogP value of 3.5 indicates that AT-057/41675266 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/41675266. Following Lipinski's Rule of Five, AT-057/41675266 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AT-057/41675266?
The CAS number of AT-057/41675266 is 1024415-87-9.
What is the molecular formula of AT-057/41675266?
The molecular formula of AT-057/41675266 is C25H36O8.
What is the molecular weight of AT-057/41675266?
The molecular weight of AT-057/41675266 is 464.24103 g/mol.
Where can I buy AT-057/41675266?
You can request a quote for AT-057/41675266 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AT-057/41675266?
Yes, CoreyChem provides custom synthesis services for AT-057/41675266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.