苯乙酸异戊酯
TL;DR: 苯乙酸异戊酯 (CAS 102-19-2) 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.
苯乙酸异戊酯
3-methylbutyl 2-phenylacetate
Also Known As: Isoamyl phenylacetate, Isopentyl phenylacetate, Isopentyl 2-phenylacetate, 3-Methylbutyl phenylacetate, Benzeneacetic acid, 3-methylbutyl ester
| 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 | 268.00 °C. @ 760.00 mm Hg |
| Density | 0.975-0.981 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.483-1.490 |
Chemical Identifiers
| CAS Number | 102-19-2 |
|---|---|
| SMILES | CC(C)CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | QWBQBUWZZBUFHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯乙酸异戊酯 (CAS 102-19-2), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 3-methylbutyl 2-phenylacetate.
Chemical Property Profile of 苯乙酸异戊酯
Property Insights of 苯乙酸异戊酯
The XLogP value of 3.6 indicates that 苯乙酸异戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 苯乙酸异戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙酸异戊酯 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 苯乙酸异戊酯?
The CAS number of 苯乙酸异戊酯 is 102-19-2.
What is the molecular formula of 苯乙酸异戊酯?
The molecular formula of 苯乙酸异戊酯 is C13H18O2.
What is the molecular weight of 苯乙酸异戊酯?
The molecular weight of 苯乙酸异戊酯 is 206.13 g/mol.
Where can I buy 苯乙酸异戊酯?
You can request a quote for 苯乙酸异戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙酸异戊酯?
Yes, KEHONG BIO provides custom synthesis services for 苯乙酸异戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.