苯乙酸甲酯
TL;DR: 苯乙酸甲酯 (CAS 101-41-7) 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.
苯乙酸甲酯
methyl 2-phenylacetate
Also Known As: METHYL PHENYLACETATE, Methyl 2-phenylacetate, Methyl benzeneacetate, Benzeneacetic acid, methyl ester, Methyl alpha-toluate
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
| Boiling Point | 215 °C |
| Density | 1.062 g/mL |
| Solubility | Soluble in most organic solvents; 1:6 in 60% alcohol; insoluble in water, glycerin and propylene glycol. |
| Vapor Pressure | 0.16 [mmHg] |
| Refractive Index | 1.503-1.509 |
Chemical Identifiers
| CAS Number | 101-41-7 |
|---|---|
| SMILES | COC(=O)CC1=CC=CC=C1 |
| InChIKey | CRZQGDNQQAALAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯乙酸甲酯 (CAS 101-41-7), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: methyl 2-phenylacetate.
Chemical Property Profile of 苯乙酸甲酯
Property Insights of 苯乙酸甲酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 苯乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙酸甲酯 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 苯乙酸甲酯?
The CAS number of 苯乙酸甲酯 is 101-41-7.
What is the molecular formula of 苯乙酸甲酯?
The molecular formula of 苯乙酸甲酯 is C9H10O2.
What is the molecular weight of 苯乙酸甲酯?
The molecular weight of 苯乙酸甲酯 is 150.07 g/mol.
Where can I buy 苯乙酸甲酯?
You can request a quote for 苯乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 苯乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.