2-Propenoic acid, 2-methyl-, 3-butenyl ester
TL;DR: 2-Propenoic acid, 2-methyl-, 3-butenyl ester (CAS 79964-12-8) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-enyl 2-methylprop-2-enoate
Also Known As: 3-Butenyl Methacrylate, But-3-en-1-yl methacrylate, Allylcarbinyl-methacrylate, 3-Butenyl 2-methylacrylate, but-3-enyl 2-methylprop-2-enoate
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 79964-12-8 |
|---|---|
| SMILES | CC(=C)C(=O)OCCC=C |
| InChIKey | LXGTYUAXSYBVFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-methyl-, 3-butenyl ester (CAS 79964-12-8), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: but-3-enyl 2-methylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-methyl-, 3-butenyl ester
Property Insights of 2-Propenoic acid, 2-methyl-, 3-butenyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-methyl-, 3-butenyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 2-methyl-, 3-butenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-methyl-, 3-butenyl ester 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 2-Propenoic acid, 2-methyl-, 3-butenyl ester?
The CAS number of 2-Propenoic acid, 2-methyl-, 3-butenyl ester is 79964-12-8.
What is the molecular formula of 2-Propenoic acid, 2-methyl-, 3-butenyl ester?
The molecular formula of 2-Propenoic acid, 2-methyl-, 3-butenyl ester is C8H12O2.
What is the molecular weight of 2-Propenoic acid, 2-methyl-, 3-butenyl ester?
The molecular weight of 2-Propenoic acid, 2-methyl-, 3-butenyl ester is 140.08 g/mol.
Where can I buy 2-Propenoic acid, 2-methyl-, 3-butenyl ester?
You can request a quote for 2-Propenoic acid, 2-methyl-, 3-butenyl 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, 2-methyl-, 3-butenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-methyl-, 3-butenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.