1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate
TL;DR: 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate (CAS 158977-22-1) is a chemical compound with molecular formula C23H28O4 and molecular weight 368.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-tert-butyl 5-O-ethyl 2,3-diphenylpentanedioate
Also Known As: Tert-butyl Ethyl 2,3-diphenylpentanedioate, 1-tert-Butyl 5-ethyl 2,3-diphenylpentanedioate, tert-butyl ethyl 2,3-diphenylpentane-1,5-dioate, 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate, 1-O-tert-butyl 5-O-ethyl 2,3-diphenylpentanedioate
Technical Specifications
| Molecular Formula | C23H28O4 |
| Molecular Weight | 368.19876 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.19876 Da |
| Heavy Atoms | 27 |
| Complexity | 467.0 |
| SMILES | CCOC(=O)CC(C1=CC=CC=C1)C(C2=CC=CC=C2)C(=O)OC(C)(C)C |
| InChIKey | PVOBBYSKDRJEKA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate
Property Insights of 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate
The XLogP value of 4.7 indicates that 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate has 0 hydrogen bond donor(s) and 4 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-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate?
The CAS number of 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate is 158977-22-1.
What is the molecular formula of 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate?
The molecular formula of 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate is C23H28O4.
What is the molecular weight of 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate?
The molecular weight of 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate is 368.19876 g/mol.
Where can I buy 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate?
You can request a quote for 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate?
Yes, CoreyChem provides custom synthesis services for 1-(1,1-Dimethylethyl) 5-ethyl 2,3-diphenylpentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.