Propyl 2-ethylbutanoate
TL;DR: Propyl 2-ethylbutanoate (CAS 5458-37-7) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-ethylbutanoate
Also Known As: Propyl 2-ethylbutanoate, propyl 2-ethylbutyrate, 12-Hydroxyjasmonicacid, PROPYL-2-ETHYLBUTANOATE, Butanoic acid, 2-ethyl, propyl ester
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 5458-37-7 |
|---|---|
| SMILES | CCCOC(=O)C(CC)CC |
| InChIKey | KFDSUDXOCFQKIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2-ethylbutanoate (CAS 5458-37-7), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: propyl 2-ethylbutanoate.
Chemical Property Profile of Propyl 2-ethylbutanoate
Property Insights of Propyl 2-ethylbutanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-ethylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl 2-ethylbutanoate?
The CAS number of Propyl 2-ethylbutanoate is 5458-37-7.
What is the molecular formula of Propyl 2-ethylbutanoate?
The molecular formula of Propyl 2-ethylbutanoate is C9H18O2.
What is the molecular weight of Propyl 2-ethylbutanoate?
The molecular weight of Propyl 2-ethylbutanoate is 158.13 g/mol.
Where can I buy Propyl 2-ethylbutanoate?
You can request a quote for Propyl 2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.