1-Methylbutyl acrylate
TL;DR: 1-Methylbutyl acrylate (CAS 51575-80-5) 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.
pentan-2-yl prop-2-enoate
Also Known As: 1-Methylbutyl acrylate, pentan-2-yl prop-2-enoate, 2-Pentylacrylate, pentan-2-yl acrylate, 1-methylbutylacrylate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.4 |
| 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 | 118.0 |
Chemical Identifiers
| CAS Number | 51575-80-5 |
|---|---|
| SMILES | CCCC(C)OC(=O)C=C |
| InChIKey | RNGPDYJPLDLVJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylbutyl acrylate (CAS 51575-80-5), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: pentan-2-yl prop-2-enoate.
Chemical Property Profile of 1-Methylbutyl acrylate
Property Insights of 1-Methylbutyl acrylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylbutyl acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylbutyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylbutyl 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 1-Methylbutyl acrylate?
The CAS number of 1-Methylbutyl acrylate is 51575-80-5.
What is the molecular formula of 1-Methylbutyl acrylate?
The molecular formula of 1-Methylbutyl acrylate is C8H14O2.
What is the molecular weight of 1-Methylbutyl acrylate?
The molecular weight of 1-Methylbutyl acrylate is 142.10 g/mol.
Where can I buy 1-Methylbutyl acrylate?
You can request a quote for 1-Methylbutyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylbutyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylbutyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.