Phenyl 2-(acetyloxy)-2-methylpropanoate
TL;DR: Phenyl 2-(acetyloxy)-2-methylpropanoate (CAS 82975-15-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-acetyloxy-2-methylpropanoate
Also Known As: phenyl 2-(acetyloxy)-2-methylpropanoate, phenyl 2-acetyloxy-2-methylpropanoate, N-(3-Nitro-benzoyl)-L-glutaminsaeure, alpha-acetoxy-isobutyric acid phenyl ester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 82975-15-3 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C(=O)OC1=CC=CC=C1 |
| InChIKey | NSWWZAPYORYSMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 2-(acetyloxy)-2-methylpropanoate (CAS 82975-15-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: phenyl 2-acetyloxy-2-methylpropanoate.
Chemical Property Profile of Phenyl 2-(acetyloxy)-2-methylpropanoate
Property Insights of Phenyl 2-(acetyloxy)-2-methylpropanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 2-(acetyloxy)-2-methylpropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Phenyl 2-(acetyloxy)-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2-(acetyloxy)-2-methylpropanoate 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
Frequently Asked Questions
What is the CAS number of Phenyl 2-(acetyloxy)-2-methylpropanoate?
The CAS number of Phenyl 2-(acetyloxy)-2-methylpropanoate is 82975-15-3.
What is the molecular formula of Phenyl 2-(acetyloxy)-2-methylpropanoate?
The molecular formula of Phenyl 2-(acetyloxy)-2-methylpropanoate is C12H14O4.
What is the molecular weight of Phenyl 2-(acetyloxy)-2-methylpropanoate?
The molecular weight of Phenyl 2-(acetyloxy)-2-methylpropanoate is 222.09 g/mol.
Where can I buy Phenyl 2-(acetyloxy)-2-methylpropanoate?
You can request a quote for Phenyl 2-(acetyloxy)-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-(acetyloxy)-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-(acetyloxy)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.