Propyl 2-ethyl-4-methylpentanoate
TL;DR: Propyl 2-ethyl-4-methylpentanoate (CAS 70476-63-0) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-ethyl-4-methylpentanoate
Also Known As: 3-styrylbenzoic acid, propyl 2-ethyl-4-methylpentanoate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 70476-63-0 |
|---|---|
| SMILES | CCCOC(=O)C(CC)CC(C)C |
| InChIKey | JDZHUFRAPPRCPI-UHFFFAOYSA-N |
Product Overview
Propyl 2-ethyl-4-methylpentanoate (CAS 70476-63-0), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: propyl 2-ethyl-4-methylpentanoate.
Chemical Property Profile of Propyl 2-ethyl-4-methylpentanoate
Property Insights of Propyl 2-ethyl-4-methylpentanoate
The XLogP value of 3.6 indicates that Propyl 2-ethyl-4-methylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 2-ethyl-4-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-ethyl-4-methylpentanoate 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 Propyl 2-ethyl-4-methylpentanoate?
The CAS number of Propyl 2-ethyl-4-methylpentanoate is 70476-63-0.
What is the molecular formula of Propyl 2-ethyl-4-methylpentanoate?
The molecular formula of Propyl 2-ethyl-4-methylpentanoate is C11H22O2.
What is the molecular weight of Propyl 2-ethyl-4-methylpentanoate?
The molecular weight of Propyl 2-ethyl-4-methylpentanoate is 186.16 g/mol.
Where can I buy Propyl 2-ethyl-4-methylpentanoate?
You can request a quote for Propyl 2-ethyl-4-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-ethyl-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-ethyl-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.