Neopentyl acrylate
TL;DR: Neopentyl acrylate (CAS 4513-36-4) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl prop-2-enoate
Also Known As: Neopentyl acrylate, neo-pentyl acrylate, neopentylacrylat, 2,2-dimethylpropyl prop-2-enoate, 2,2-dimethylpropyl acrylate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 4513-36-4 |
|---|---|
| SMILES | CC(C)(C)COC(=O)C=C |
| InChIKey | IJLJDZOLZATUFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl acrylate (CAS 4513-36-4), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 2,2-dimethylpropyl prop-2-enoate.
Chemical Property Profile of Neopentyl acrylate
Property Insights of Neopentyl acrylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neopentyl acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Neopentyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl acrylate has 0 hydrogen bond donor(s) and 2 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 Neopentyl acrylate?
The CAS number of Neopentyl acrylate is 4513-36-4.
What is the molecular formula of Neopentyl acrylate?
The molecular formula of Neopentyl acrylate is C8H14O2.
What is the molecular weight of Neopentyl acrylate?
The molecular weight of Neopentyl acrylate is 142.10 g/mol.
Where can I buy Neopentyl acrylate?
You can request a quote for Neopentyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.