But-2-enyl 2-methylbutyrate
TL;DR: But-2-enyl 2-methylbutyrate (CAS 94278-40-7) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enyl 2-methylbutanoate
Also Known As: But-2-enyl 2-methylbutyrate, but-2-enyl 2-methylbutanoate, But-2-enyl 2-methylbutyrate, EINECS 304-730-3, CID6366524, Butanoic acid, 2-methyl-, 2-butenyl ester, 94278-40-7
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.1518 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 138.49815 |
Chemical Identifiers
| CAS Number | 94278-40-7 |
|---|---|
| SMILES | CCC(C)C(=O)OCC=CC |
Product Overview
But-2-enyl 2-methylbutyrate (CAS 94278-40-7), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: but-2-enyl 2-methylbutanoate.
Chemical Property Profile of But-2-enyl 2-methylbutyrate
Property Insights of But-2-enyl 2-methylbutyrate
The XLogP value of 2.1518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enyl 2-methylbutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, But-2-enyl 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-2-enyl 2-methylbutyrate 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 But-2-enyl 2-methylbutyrate?
The CAS number of But-2-enyl 2-methylbutyrate is 94278-40-7.
What is the molecular formula of But-2-enyl 2-methylbutyrate?
The molecular formula of But-2-enyl 2-methylbutyrate is C9H16O2.
What is the molecular weight of But-2-enyl 2-methylbutyrate?
The molecular weight of But-2-enyl 2-methylbutyrate is 156.12 g/mol.
Where can I buy But-2-enyl 2-methylbutyrate?
You can request a quote for But-2-enyl 2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enyl 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for But-2-enyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.