Pivalyloxymethyl butyrate
TL;DR: Pivalyloxymethyl butyrate (CAS 122110-53-6) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butanoyloxymethyl 2,2-dimethylpropanoate
Also Known As: Pivanex, (PIVALOYLOXY)METHYL BUTYRATE, Pivalyloxymethyl butyrate, Pivaloyloxymethyl butyrate, AN 9 (ion exchanger)
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O4 |
| Molecular Weight | 202.12051 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.12051 Da |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
| SMILES | CCCC(=O)OCOC(=O)C(C)(C)C |
| InChIKey | GYKLFBYWXZYSOW-UHFFFAOYSA-N |
Chemical Property Profile of Pivalyloxymethyl butyrate
Property Insights of Pivalyloxymethyl butyrate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pivalyloxymethyl butyrate. With a topological polar surface area (TPSA) of 52.6 Ų, Pivalyloxymethyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pivalyloxymethyl butyrate 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 Pivalyloxymethyl butyrate?
The CAS number of Pivalyloxymethyl butyrate is 122110-53-6.
What is the molecular formula of Pivalyloxymethyl butyrate?
The molecular formula of Pivalyloxymethyl butyrate is C10H18O4.
What is the molecular weight of Pivalyloxymethyl butyrate?
The molecular weight of Pivalyloxymethyl butyrate is 202.12051 g/mol.
Where can I buy Pivalyloxymethyl butyrate?
You can request a quote for Pivalyloxymethyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pivalyloxymethyl butyrate?
Yes, CoreyChem provides custom synthesis services for Pivalyloxymethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.