2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester
TL;DR: 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester (CAS 20166-73-8) is a chemical compound with molecular formula C10H19NO2 and molecular weight 185.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylamino)-2,2-dimethylpropyl] prop-2-enoate
Also Known As: 3-Dimethylamino neopentyl acrylate, 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester, 3-(Dimethylamino)-2,2-dimethylpropyl acrylate, 3-Domethylamino neopentyl acrylate, DIMETHYLAMINONEOPENTYL ACRYLATE
| Molecular Formula | C10H19NO2 |
|---|---|
| Molecular Weight | 185.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 185.14159 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 20166-73-8 |
|---|---|
| SMILES | CC(C)(CN(C)C)COC(=O)C=C |
| InChIKey | SZWMBBRKRKJARM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester (CAS 20166-73-8), with molecular formula C10H19NO2 and molecular weight 185.14 g/mol. IUPAC: [3-(dimethylamino)-2,2-dimethylpropyl] prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester
Property Insights of 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl 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 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester?
The CAS number of 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester is 20166-73-8.
What is the molecular formula of 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester?
The molecular formula of 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester is C10H19NO2.
What is the molecular weight of 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester?
The molecular weight of 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester is 185.14 g/mol.
Where can I buy 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester?
You can request a quote for 2-Propenoic acid, 3-(dimethylamino)-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-(dimethylamino)-2,2-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.