2,2-二甲基丙酸苯酯
TL;DR: 2,2-二甲基丙酸苯酯 (CAS 4920-92-7) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二甲基丙酸苯酯
phenyl 2,2-dimethylpropanoate
Also Known As: Phenyl pivalate, Pivalic acid, phenyl ester, Phenyl trimethylacetate, PHENYL 2,2-DIMETHYLPROPANOATE, Sivelestat Impurity 26
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 4920-92-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC=CC=C1 |
| InChIKey | PUXKSJCSTXMIKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二甲基丙酸苯酯 (CAS 4920-92-7), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: phenyl 2,2-dimethylpropanoate.
Chemical Property Profile of 2,2-二甲基丙酸苯酯
Property Insights of 2,2-二甲基丙酸苯酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二甲基丙酸苯酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2-二甲基丙酸苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二甲基丙酸苯酯 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
Frequently Asked Questions
What is the CAS number of 2,2-二甲基丙酸苯酯?
The CAS number of 2,2-二甲基丙酸苯酯 is 4920-92-7.
What is the molecular formula of 2,2-二甲基丙酸苯酯?
The molecular formula of 2,2-二甲基丙酸苯酯 is C11H14O2.
What is the molecular weight of 2,2-二甲基丙酸苯酯?
The molecular weight of 2,2-二甲基丙酸苯酯 is 178.10 g/mol.
Where can I buy 2,2-二甲基丙酸苯酯?
You can request a quote for 2,2-二甲基丙酸苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基丙酸苯酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基丙酸苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.