1,2-Ethanediol, 1-phenyl-, 2-acetate
TL;DR: 1,2-Ethanediol, 1-phenyl-, 2-acetate (CAS 10522-41-5) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-2-phenylethyl) acetate
Also Known As: beta-Hydroxyphenethyl acetate, 2-hydroxy-2-phenylethyl acetate, 1,2-Ethanediol, 1-phenyl-, 2-acetate, neryl trimethylsilyl ether, (2-hydroxy-2-phenylethyl) acetate
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 10522-41-5 |
|---|---|
| SMILES | CC(=O)OCC(C1=CC=CC=C1)O |
| InChIKey | QGJIFOZQMCBQIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Ethanediol, 1-phenyl-, 2-acetate (CAS 10522-41-5), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: (2-hydroxy-2-phenylethyl) acetate.
Chemical Property Profile of 1,2-Ethanediol, 1-phenyl-, 2-acetate
Property Insights of 1,2-Ethanediol, 1-phenyl-, 2-acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediol, 1-phenyl-, 2-acetate. With a topological polar surface area (TPSA) of 46.5 Ų, 1,2-Ethanediol, 1-phenyl-, 2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Ethanediol, 1-phenyl-, 2-acetate has 1 hydrogen bond donor(s) and 3 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 1,2-Ethanediol, 1-phenyl-, 2-acetate?
The CAS number of 1,2-Ethanediol, 1-phenyl-, 2-acetate is 10522-41-5.
What is the molecular formula of 1,2-Ethanediol, 1-phenyl-, 2-acetate?
The molecular formula of 1,2-Ethanediol, 1-phenyl-, 2-acetate is C10H12O3.
What is the molecular weight of 1,2-Ethanediol, 1-phenyl-, 2-acetate?
The molecular weight of 1,2-Ethanediol, 1-phenyl-, 2-acetate is 180.08 g/mol.
Where can I buy 1,2-Ethanediol, 1-phenyl-, 2-acetate?
You can request a quote for 1,2-Ethanediol, 1-phenyl-, 2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediol, 1-phenyl-, 2-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediol, 1-phenyl-, 2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.