丁酸苯乙酯
TL;DR: 丁酸苯乙酯 (CAS 103-52-6) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸苯乙酯
2-phenylethyl butanoate
Also Known As: Phenethyl butyrate, 2-Phenylethyl butanoate, Phenylethyl butyrate, Phenethyl butanoate, 2-Phenethyl butanoate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
| Boiling Point | 238.00 °C. @ 760.00 mm Hg |
| Density | 0.991-0.994 |
| Solubility | very slightly |
| Refractive Index | 1.487-1.493 |
Chemical Identifiers
| CAS Number | 103-52-6 |
|---|---|
| SMILES | CCCC(=O)OCCC1=CC=CC=C1 |
| InChIKey | WFNDDSQUKATKNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酸苯乙酯 (CAS 103-52-6), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-phenylethyl butanoate.
Chemical Property Profile of 丁酸苯乙酯
Property Insights of 丁酸苯乙酯
The XLogP value of 3.1 indicates that 丁酸苯乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 丁酸苯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酸苯乙酯 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 丁酸苯乙酯?
The CAS number of 丁酸苯乙酯 is 103-52-6.
What is the molecular formula of 丁酸苯乙酯?
The molecular formula of 丁酸苯乙酯 is C12H16O2.
What is the molecular weight of 丁酸苯乙酯?
The molecular weight of 丁酸苯乙酯 is 192.12 g/mol.
Where can I buy 丁酸苯乙酯?
You can request a quote for 丁酸苯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸苯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸苯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.