Benzyl-2,2,4,4-tetramethylpentanoate
TL;DR: Benzyl-2,2,4,4-tetramethylpentanoate (CAS 81325-80-6) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2,2,4,4-tetramethylpentanoate
Also Known As: B-Tmpn, Benzyl-2,2,4,4-tetramethylpentanoate, BENZYL 2,2,4,4-TETRAMETHYLPENTANOATE, J1.591.957D, 2,2,4,4-Tetramethylpentanoic acid benzyl ester
Technical Specifications
| Molecular Formula | C16H24O2 |
| Molecular Weight | 248.17763 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.17763 Da |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
| SMILES | CC(C)(C)CC(C)(C)C(=O)OCC1=CC=CC=C1 |
| InChIKey | RGRZYJOMDYUVPI-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl-2,2,4,4-tetramethylpentanoate
Property Insights of Benzyl-2,2,4,4-tetramethylpentanoate
The XLogP value of 4.6 indicates that Benzyl-2,2,4,4-tetramethylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl-2,2,4,4-tetramethylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl-2,2,4,4-tetramethylpentanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzyl-2,2,4,4-tetramethylpentanoate?
The CAS number of Benzyl-2,2,4,4-tetramethylpentanoate is 81325-80-6.
What is the molecular formula of Benzyl-2,2,4,4-tetramethylpentanoate?
The molecular formula of Benzyl-2,2,4,4-tetramethylpentanoate is C16H24O2.
What is the molecular weight of Benzyl-2,2,4,4-tetramethylpentanoate?
The molecular weight of Benzyl-2,2,4,4-tetramethylpentanoate is 248.17763 g/mol.
Where can I buy Benzyl-2,2,4,4-tetramethylpentanoate?
You can request a quote for Benzyl-2,2,4,4-tetramethylpentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl-2,2,4,4-tetramethylpentanoate?
Yes, CoreyChem provides custom synthesis services for Benzyl-2,2,4,4-tetramethylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.