2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester
TL;DR: 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester (CAS 66671-22-5) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3-prop-2-enoyloxypropyl) benzoate
Also Known As: 3-(Benzoyloxy)-2,2-dimethylpropyl acrylate, Neopentyl glycol acrylate benzoate, Neopentyl glycol, monobenzoate monoacrylate, NEOPENTYLGLYCOLACRYLATEBENZOATE, 3-(acryloyloxy)-2,2-dimethylpropyl benzoate
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 66671-22-5 |
|---|---|
| SMILES | CC(C)(COC(=O)C=C)COC(=O)C1=CC=CC=C1 |
| InChIKey | MXBCLXAAEYWALK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester (CAS 66671-22-5), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: (2,2-dimethyl-3-prop-2-enoyloxypropyl) benzoate.
Chemical Property Profile of 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester
Property Insights of 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester
The XLogP value of 3.4 indicates that 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl 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 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester?
The CAS number of 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester is 66671-22-5.
What is the molecular formula of 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester?
The molecular formula of 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester is C15H18O4.
What is the molecular weight of 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester?
The molecular weight of 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester is 262.12 g/mol.
Where can I buy 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester?
You can request a quote for 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(benzoyloxy)-2,2-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.