Methyl 3-methyl-2-butenoate
TL;DR: Methyl 3-methyl-2-butenoate (CAS 924-50-5) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methylbut-2-enoate
Also Known As: Methyl 3-methyl-2-butenoate, Methyl 3,3-dimethylacrylate, methyl 3-methylbut-2-enoate, METHYL-3,3-DIMETHYLACRYLATE, Methyl senecioate
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 924-50-5 |
|---|---|
| SMILES | CC(=CC(=O)OC)C |
| InChIKey | FZIBCCGGICGWBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-methyl-2-butenoate (CAS 924-50-5), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: methyl 3-methylbut-2-enoate.
Chemical Property Profile of Methyl 3-methyl-2-butenoate
Property Insights of Methyl 3-methyl-2-butenoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-2-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-methyl-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-2-butenoate 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 Methyl 3-methyl-2-butenoate?
The CAS number of Methyl 3-methyl-2-butenoate is 924-50-5.
What is the molecular formula of Methyl 3-methyl-2-butenoate?
The molecular formula of Methyl 3-methyl-2-butenoate is C6H10O2.
What is the molecular weight of Methyl 3-methyl-2-butenoate?
The molecular weight of Methyl 3-methyl-2-butenoate is 114.07 g/mol.
Where can I buy Methyl 3-methyl-2-butenoate?
You can request a quote for Methyl 3-methyl-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.