Pentyl 2-ethylbutanoate
TL;DR: Pentyl 2-ethylbutanoate (CAS 5458-38-8) 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.
pentyl 2-ethylbutanoate
Also Known As: pentyl 2-ethylbutanoate, 2-Ethylbutyric acid, pentyl ester, Butanoic acid, 2-ethyl, pentyl ester, (3Z)-3-[2-(2-Furyl)-2-oxoethylidene]-3,4-dihydro-2(1H)-quinoxalinone, 3-(2-Furan-2-yl-2-oxo-ethylidene)-3,4-dihydro-1H-quinoxalin-2-one
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 5458-38-8 |
|---|---|
| SMILES | CCCCCOC(=O)C(CC)CC |
| InChIKey | PQIYTFKEWTVAEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl 2-ethylbutanoate (CAS 5458-38-8), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: pentyl 2-ethylbutanoate.
Chemical Property Profile of Pentyl 2-ethylbutanoate
Property Insights of Pentyl 2-ethylbutanoate
The XLogP value of 3.7 indicates that Pentyl 2-ethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 2-ethylbutanoate 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 Pentyl 2-ethylbutanoate?
The CAS number of Pentyl 2-ethylbutanoate is 5458-38-8.
What is the molecular formula of Pentyl 2-ethylbutanoate?
The molecular formula of Pentyl 2-ethylbutanoate is C11H22O2.
What is the molecular weight of Pentyl 2-ethylbutanoate?
The molecular weight of Pentyl 2-ethylbutanoate is 186.16 g/mol.
Where can I buy Pentyl 2-ethylbutanoate?
You can request a quote for Pentyl 2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.