Allyl 2-ethylbutyrate
TL;DR: Allyl 2-ethylbutyrate (CAS 7493-69-8) 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.
prop-2-enyl 2-ethylbutanoate
Also Known As: ALLYL 2-ETHYLBUTYRATE, Allyl 2-ethyl butyrate, 2-Propenyl 2-ethylbutanoate, Cloranolol, prop-2-enyl 2-ethylbutanoate
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
| Melting Point | 165 - 167 °C |
| Density | 0.882-0.887 |
| Solubility | Insoluble in water, soluble in ethanol, and miscible with essential oils and flavour materials |
| Refractive Index | 1.422-1.427 |
Chemical Identifiers
| CAS Number | 7493-69-8 |
|---|---|
| SMILES | CCC(CC)C(=O)OCC=C |
| InChIKey | NBKXNUWCFMZFMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl 2-ethylbutyrate (CAS 7493-69-8), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: prop-2-enyl 2-ethylbutanoate.
Chemical Property Profile of Allyl 2-ethylbutyrate
Property Insights of Allyl 2-ethylbutyrate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 2-ethylbutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl 2-ethylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 2-ethylbutyrate 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 Allyl 2-ethylbutyrate?
The CAS number of Allyl 2-ethylbutyrate is 7493-69-8.
What is the molecular formula of Allyl 2-ethylbutyrate?
The molecular formula of Allyl 2-ethylbutyrate is C9H16O2.
What is the molecular weight of Allyl 2-ethylbutyrate?
The molecular weight of Allyl 2-ethylbutyrate is 156.12 g/mol.
Where can I buy Allyl 2-ethylbutyrate?
You can request a quote for Allyl 2-ethylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 2-ethylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 2-ethylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.