A85 4777
TL;DR: A85 4777 (CAS 117009-82-2) is a chemical compound with molecular formula C20H32N2O2 and molecular weight 332.24637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-diazepan-1-yl-(3,5-ditert-butyl-4-hydroxyphenyl)methanone
Also Known As: 1-(4-Hydroxy-3,5-ditert-butylbenzoyl)homopiperazine, A 854777, A85 4777, A85-4777, A 85 4777
Technical Specifications
| Molecular Formula | C20H32N2O2 |
| Molecular Weight | 332.24637 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.24637 Da |
| Heavy Atoms | 24 |
| Complexity | 412.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCCNCC2 |
| InChIKey | LYRRSBJFMOFHBF-UHFFFAOYSA-N |
Chemical Property Profile of A85 4777
Property Insights of A85 4777
The XLogP value of 4.1 indicates that A85 4777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, A85 4777 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A85 4777 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of A85 4777?
The CAS number of A85 4777 is 117009-82-2.
What is the molecular formula of A85 4777?
The molecular formula of A85 4777 is C20H32N2O2.
What is the molecular weight of A85 4777?
The molecular weight of A85 4777 is 332.24637 g/mol.
Where can I buy A85 4777?
You can request a quote for A85 4777 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for A85 4777?
Yes, CoreyChem provides custom synthesis services for A85 4777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.