2-Butenoic acid, 3-methyl-, 2-propenyl ester
TL;DR: 2-Butenoic acid, 3-methyl-, 2-propenyl ester (CAS 51552-26-2) 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.
prop-2-enyl 3-methylbut-2-enoate
Also Known As: Allyl 3-methyl-2-butenoate, Allyl 3-methyl-2-butenoate #, prop-2-enyl 3-methylbut-2-enoate, 2-Butenoic acid, 3-methyl-, 2-propenyl ester, 3-Methyl-2-butenoic acid allyl ester
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 51552-26-2 |
|---|---|
| SMILES | CC(=CC(=O)OCC=C)C |
| InChIKey | GVTWTJSNCVPLSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 3-methyl-, 2-propenyl ester (CAS 51552-26-2), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: prop-2-enyl 3-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-methyl-, 2-propenyl ester
Property Insights of 2-Butenoic acid, 3-methyl-, 2-propenyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-methyl-, 2-propenyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 3-methyl-, 2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-methyl-, 2-propenyl 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-Butenoic acid, 3-methyl-, 2-propenyl ester?
The CAS number of 2-Butenoic acid, 3-methyl-, 2-propenyl ester is 51552-26-2.
What is the molecular formula of 2-Butenoic acid, 3-methyl-, 2-propenyl ester?
The molecular formula of 2-Butenoic acid, 3-methyl-, 2-propenyl ester is C8H12O2.
What is the molecular weight of 2-Butenoic acid, 3-methyl-, 2-propenyl ester?
The molecular weight of 2-Butenoic acid, 3-methyl-, 2-propenyl ester is 140.08 g/mol.
Where can I buy 2-Butenoic acid, 3-methyl-, 2-propenyl ester?
You can request a quote for 2-Butenoic acid, 3-methyl-, 2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-methyl-, 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-methyl-, 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.