AT-057/41675263
TL;DR: AT-057/41675263 (CAS 1005057-74-8) is a chemical compound with molecular formula C25H36O7 and molecular weight 448.2461 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ditert-butyl 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AT-057/41675263, ditert-butyl 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, di-tert-butyl 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, di(tert-butyl) 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, Ditert-butyl 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate
Technical Specifications
| Molecular Formula | C25H36O7 |
| Molecular Weight | 448.2461 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.2461 Da |
| Heavy Atoms | 32 |
| Complexity | 694.0 |
| SMILES | CCOC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OC(C)(C)C)(C)O)C(=O)OC(C)(C)C |
| InChIKey | WBBRMPQIPUIEHF-UHFFFAOYSA-N |
Chemical Property Profile of AT-057/41675263
Property Insights of AT-057/41675263
The XLogP value of 3.8 indicates that AT-057/41675263 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/41675263. Following Lipinski's Rule of Five, AT-057/41675263 has 1 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 AT-057/41675263?
The CAS number of AT-057/41675263 is 1005057-74-8.
What is the molecular formula of AT-057/41675263?
The molecular formula of AT-057/41675263 is C25H36O7.
What is the molecular weight of AT-057/41675263?
The molecular weight of AT-057/41675263 is 448.2461 g/mol.
Where can I buy AT-057/41675263?
You can request a quote for AT-057/41675263 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AT-057/41675263?
Yes, CoreyChem provides custom synthesis services for AT-057/41675263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.