sec-Butyl acrylate
TL;DR: sec-Butyl acrylate (CAS 2998-08-5) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl prop-2-enoate
Also Known As: sec-Butyl acrylate, butan-2-yl prop-2-enoate, s-Butyl acrylate, 3butyl acrylate, Acrylic acid, sec-butyl ester
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 2998-08-5 |
|---|---|
| SMILES | CCC(C)OC(=O)C=C |
| InChIKey | RNOOHTVUSNIPCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
sec-Butyl acrylate (CAS 2998-08-5), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: butan-2-yl prop-2-enoate.
Chemical Property Profile of sec-Butyl acrylate
Property Insights of sec-Butyl acrylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sec-Butyl acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, sec-Butyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-Butyl 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 sec-Butyl acrylate?
The CAS number of sec-Butyl acrylate is 2998-08-5.
What is the molecular formula of sec-Butyl acrylate?
The molecular formula of sec-Butyl acrylate is C7H12O2.
What is the molecular weight of sec-Butyl acrylate?
The molecular weight of sec-Butyl acrylate is 128.08 g/mol.
Where can I buy sec-Butyl acrylate?
You can request a quote for sec-Butyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Butyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for sec-Butyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.