2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester (CAS 129423-62-7) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-hydroxy-2,2-dimethylpropyl) 2-cyano-3,3-diphenylprop-2-enoate
Also Known As: 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester, J1.563.436G, (3-hydroxy-2,2-dimethylpropyl) 2-cyano-3,3-diphenylprop-2-enoate, NEOPENTYL GLYCOL 2-CYANO-3,3-DIPHENYLACRYLATE, 3-HYDROXY-2,2-DIMETHYLPROPYL 2-CYANO-3,3-DIPHENYLPROP-2-ENOATE
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H21NO3 |
| Molecular Weight | 335.15213 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.15213 Da |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
| SMILES | CC(C)(CO)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N |
| InChIKey | ILMOIAPKOXMYMN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester
The XLogP value of 4.5 indicates that 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester 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
What is the CAS number of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester is 129423-62-7.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester is C21H21NO3.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester is 335.15213 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 3-hydroxy-2,2-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.