Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester
TL;DR: Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester (CAS 55012-78-7) 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.
methyl 2-acetyloxy-2-phenylpropanoate
Also Known As: Methyl 2-(acetyloxy)-2-phenylpropanoate, methyl 2-acetyloxy-2-phenylpropanoate, Methyl 2-(acetyloxy)-2-phenylpropanoate #, alpha-(Acetyloxy)-alpha-methylbenzeneacetic acid methyl ester, Benzeneacetic acid, .alpha.-(acetyloxy)-.alpha.-methyl-, methyl ester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.9 |
| 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 | 268.0 |
Chemical Identifiers
| CAS Number | 55012-78-7 |
|---|---|
| SMILES | CC(=O)OC(C)(C1=CC=CC=C1)C(=O)OC |
| InChIKey | VTLQBIIORRLWCQ-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester (CAS 55012-78-7), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: methyl 2-acetyloxy-2-phenylpropanoate.
Chemical Property Profile of Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester
Property Insights of Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester 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 Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester?
The CAS number of Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester is 55012-78-7.
What is the molecular formula of Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester?
The molecular formula of Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester is C12H14O4.
What is the molecular weight of Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester?
The molecular weight of Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester is 222.09 g/mol.
Where can I buy Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester?
You can request a quote for Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-(acetyloxy)-alpha-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.