Alpha-methylbenzyl phthalate
TL;DR: Alpha-methylbenzyl phthalate (CAS 33533-53-8) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenylethoxycarbonyl)benzoic acid
Also Known As: 2-((1-phenylethoxy)carbonyl)benzoic acid, 1-Phenylethyl hydrogen phthalate, 2-(1-phenylethoxycarbonyl)benzoic acid, 1-Phenyl-cyclobutanol-(1), ALPHA-METHYLBENZYL PHTHALATE
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 33533-53-8 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | HWQNOBIACRMODQ-UHFFFAOYSA-N |
Product Overview
Alpha-methylbenzyl phthalate (CAS 33533-53-8), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 2-(1-phenylethoxycarbonyl)benzoic acid.
Chemical Property Profile of Alpha-methylbenzyl phthalate
Property Insights of Alpha-methylbenzyl phthalate
The XLogP value of 3.0 indicates that Alpha-methylbenzyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-methylbenzyl phthalate. Following Lipinski's Rule of Five, Alpha-methylbenzyl phthalate has 1 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 Alpha-methylbenzyl phthalate?
The CAS number of Alpha-methylbenzyl phthalate is 33533-53-8.
What is the molecular formula of Alpha-methylbenzyl phthalate?
The molecular formula of Alpha-methylbenzyl phthalate is C16H14O4.
What is the molecular weight of Alpha-methylbenzyl phthalate?
The molecular weight of Alpha-methylbenzyl phthalate is 270.09 g/mol.
Where can I buy Alpha-methylbenzyl phthalate?
You can request a quote for Alpha-methylbenzyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-methylbenzyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Alpha-methylbenzyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.