Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester
TL;DR: Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester (CAS 77846-89-0) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-2-(2-methylphenyl)propanoate
Also Known As: Methyl 2-methyl-2-(2-methylphenyl)propanoate, methyl 2-methyl-2-(o-tolyl)propanoate, Methyl 2-methyl-2-(2-methylphenyl)propanoate #, alpha,alpha,2-Trimethylbenzeneacetic acid methyl ester, Benzeneacetic acid, .alpha.,.alpha.,2-trimethyl-, methyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 77846-89-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C(C)(C)C(=O)OC |
| InChIKey | GVSGLMXGGWRCLV-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester (CAS 77846-89-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: methyl 2-methyl-2-(2-methylphenyl)propanoate.
Chemical Property Profile of Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester
Property Insights of Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester
The XLogP value of 3.0 indicates that Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester 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 Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester?
The CAS number of Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester is 77846-89-0.
What is the molecular formula of Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester?
The molecular formula of Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester is C12H16O2.
What is the molecular weight of Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester?
The molecular weight of Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester is 192.12 g/mol.
Where can I buy Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester?
You can request a quote for Benzeneacetic acid, alpha,alpha,2-trimethyl-, 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,alpha,2-trimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha,alpha,2-trimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.