Isopentyl acrylate
TL;DR: Isopentyl acrylate (CAS 4245-35-6) 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.
3-methylbutyl prop-2-enoate
Also Known As: Acrylic acid isoamyl ester, Isopentyl acrylate, Isoamyl Acrylate, 3-methylbutyl prop-2-enoate, 3-methylbutyl acrylate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 4245-35-6 |
|---|---|
| SMILES | CC(C)CCOC(=O)C=C |
| InChIKey | ZVYGIPWYVVJFRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentyl acrylate (CAS 4245-35-6), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 3-methylbutyl prop-2-enoate.
Chemical Property Profile of Isopentyl acrylate
Property Insights of Isopentyl acrylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopentyl acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopentyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl 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 Isopentyl acrylate?
The CAS number of Isopentyl acrylate is 4245-35-6.
What is the molecular formula of Isopentyl acrylate?
The molecular formula of Isopentyl acrylate is C8H14O2.
What is the molecular weight of Isopentyl acrylate?
The molecular weight of Isopentyl acrylate is 142.10 g/mol.
Where can I buy Isopentyl acrylate?
You can request a quote for Isopentyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.