2-Methylallyl butyrate
TL;DR: 2-Methylallyl butyrate (CAS 719-90-4) 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.
2-methylprop-2-enyl butanoate
Also Known As: 2-Methylallyl butyrate, Methylallyl butyrate, 2-Methylallyl butanoate, 2-methylprop-2-enyl butanoate, methallyl butyrate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.2 |
| 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 | 127.0 |
Chemical Identifiers
| CAS Number | 719-90-4 |
|---|---|
| SMILES | CCCC(=O)OCC(=C)C |
| InChIKey | AHRIFIYGSJEEKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylallyl butyrate (CAS 719-90-4), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 2-methylprop-2-enyl butanoate.
Chemical Property Profile of 2-Methylallyl butyrate
Property Insights of 2-Methylallyl butyrate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylallyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylallyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylallyl butyrate 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-Methylallyl butyrate?
The CAS number of 2-Methylallyl butyrate is 719-90-4.
What is the molecular formula of 2-Methylallyl butyrate?
The molecular formula of 2-Methylallyl butyrate is C8H14O2.
What is the molecular weight of 2-Methylallyl butyrate?
The molecular weight of 2-Methylallyl butyrate is 142.10 g/mol.
Where can I buy 2-Methylallyl butyrate?
You can request a quote for 2-Methylallyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylallyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylallyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.