异戊酸苯乙酯
TL;DR: 异戊酸苯乙酯 (CAS 140-26-1) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异戊酸苯乙酯
2-phenylethyl 3-methylbutanoate
Also Known As: Phenethyl isovalerate, Phenylethyl isovalerate, 2-Phenylethyl 3-methylbutanoate, 2-Phenylethyl isovalerate, phenethyl 3-methylbutanoate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
| Boiling Point | 263.00 to 264.00 °C. @ 760.00 mm Hg |
| Density | 0.973-0.976 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.482-1.487 |
Chemical Identifiers
| CAS Number | 140-26-1 |
|---|---|
| SMILES | CC(C)CC(=O)OCCC1=CC=CC=C1 |
| InChIKey | JIMGVOCOYZFDKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异戊酸苯乙酯 (CAS 140-26-1), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-phenylethyl 3-methylbutanoate.
Chemical Property Profile of 异戊酸苯乙酯
Property Insights of 异戊酸苯乙酯
The XLogP value of 3.6 indicates that 异戊酸苯乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 异戊酸苯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异戊酸苯乙酯 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 异戊酸苯乙酯?
The CAS number of 异戊酸苯乙酯 is 140-26-1.
What is the molecular formula of 异戊酸苯乙酯?
The molecular formula of 异戊酸苯乙酯 is C13H18O2.
What is the molecular weight of 异戊酸苯乙酯?
The molecular weight of 异戊酸苯乙酯 is 206.13 g/mol.
Where can I buy 异戊酸苯乙酯?
You can request a quote for 异戊酸苯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异戊酸苯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 异戊酸苯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.