丙酸-2-苯乙酯
TL;DR: 丙酸-2-苯乙酯 (CAS 122-70-3) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酸-2-苯乙酯
2-phenylethyl propanoate
Also Known As: 2-Phenylethyl propionate, Phenethyl propionate, 2-Phenylethyl propanoate, Phenylethyl propionate, Propanoic acid, 2-phenylethyl ester
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
| Melting Point | < 25 °C |
| Boiling Point | 244.00 to 245.00 °C. @ 760.00 mm Hg |
| Density | 1.02 at 25/25 °C |
| Solubility | Miscible with alcohols and ether |
| Vapor Pressure | 0.05 [mmHg] |
| Refractive Index | 1.489-1.499 |
Chemical Identifiers
| CAS Number | 122-70-3 |
|---|---|
| SMILES | CCC(=O)OCCC1=CC=CC=C1 |
| InChIKey | HVGZQCSMLUDISR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酸-2-苯乙酯 (CAS 122-70-3), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-phenylethyl propanoate.
Chemical Property Profile of 丙酸-2-苯乙酯
Property Insights of 丙酸-2-苯乙酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酸-2-苯乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丙酸-2-苯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酸-2-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 丙酸-2-苯乙酯?
The CAS number of 丙酸-2-苯乙酯 is 122-70-3.
What is the molecular formula of 丙酸-2-苯乙酯?
The molecular formula of 丙酸-2-苯乙酯 is C11H14O2.
What is the molecular weight of 丙酸-2-苯乙酯?
The molecular weight of 丙酸-2-苯乙酯 is 178.10 g/mol.
Where can I buy 丙酸-2-苯乙酯?
You can request a quote for 丙酸-2-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 丙酸-2-苯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 丙酸-2-苯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.