甲酸苯乙酯
TL;DR: 甲酸苯乙酯 (CAS 104-62-1) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲酸苯乙酯
2-phenylethyl formate
Also Known As: Phenethyl formate, 2-Phenylethyl formate, Phenylethyl formate, Benzylcarbinyl formate, 2-Phenethyl formate
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
| Boiling Point | 226.00 °C. @ 760.00 mm Hg |
| Density | 1.056-1.065 |
| Solubility | slightly |
| Refractive Index | 1.503-1.513 |
Chemical Identifiers
| CAS Number | 104-62-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC=O |
| InChIKey | IKDIJXDZEYHZSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲酸苯乙酯 (CAS 104-62-1), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 2-phenylethyl formate.
Chemical Property Profile of 甲酸苯乙酯
Property Insights of 甲酸苯乙酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲酸苯乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 甲酸苯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲酸苯乙酯 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 甲酸苯乙酯?
The CAS number of 甲酸苯乙酯 is 104-62-1.
What is the molecular formula of 甲酸苯乙酯?
The molecular formula of 甲酸苯乙酯 is C9H10O2.
What is the molecular weight of 甲酸苯乙酯?
The molecular weight of 甲酸苯乙酯 is 150.07 g/mol.
Where can I buy 甲酸苯乙酯?
You can request a quote for 甲酸苯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲酸苯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 甲酸苯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.