Acetic acid, phenoxy-, 2-methylphenyl ester
TL;DR: Acetic acid, phenoxy-, 2-methylphenyl ester (CAS 112445-71-3) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 2-phenoxyacetate
Also Known As: 2-methylphenyl phenoxyacetate, Acetic acid, phenoxy-, 2-methylphenyl ester, (2-methylphenyl) 2-phenoxyacetate, 2-methylphenyl 2-phenoxyacetate, Acetic acid,phenoxy-,2-methylphenyl ester
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 112445-71-3 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)COC2=CC=CC=C2 |
| InChIKey | MCAORZBZTONBGH-UHFFFAOYSA-N |
Product Overview
Acetic acid, phenoxy-, 2-methylphenyl ester (CAS 112445-71-3), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: (2-methylphenyl) 2-phenoxyacetate.
Chemical Property Profile of Acetic acid, phenoxy-, 2-methylphenyl ester
Property Insights of Acetic acid, phenoxy-, 2-methylphenyl ester
The XLogP value of 3.6 indicates that Acetic acid, phenoxy-, 2-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, phenoxy-, 2-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, phenoxy-, 2-methylphenyl ester has 0 hydrogen bond donor(s) and 3 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 Acetic acid, phenoxy-, 2-methylphenyl ester?
The CAS number of Acetic acid, phenoxy-, 2-methylphenyl ester is 112445-71-3.
What is the molecular formula of Acetic acid, phenoxy-, 2-methylphenyl ester?
The molecular formula of Acetic acid, phenoxy-, 2-methylphenyl ester is C15H14O3.
What is the molecular weight of Acetic acid, phenoxy-, 2-methylphenyl ester?
The molecular weight of Acetic acid, phenoxy-, 2-methylphenyl ester is 242.09 g/mol.
Where can I buy Acetic acid, phenoxy-, 2-methylphenyl ester?
You can request a quote for Acetic acid, phenoxy-, 2-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, phenoxy-, 2-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, phenoxy-, 2-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.