1,2-Ethanediol, 1-phenyl-, 1,2-diacetate
TL;DR: 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate (CAS 6270-03-7) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-2-phenylethyl) acetate
Also Known As: acetate, Phenylglycol diacetate, 1-Phenyl-1,2-ethanediol diacetate, Phenylethylene di(acetate), 1,2-diacetoxyethylbenzene
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 6270-03-7 |
|---|---|
| SMILES | CC(=O)OCC(C1=CC=CC=C1)OC(=O)C |
| InChIKey | WCYRXMRSUIXKRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Ethanediol, 1-phenyl-, 1,2-diacetate (CAS 6270-03-7), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: (2-acetyloxy-2-phenylethyl) acetate.
Chemical Property Profile of 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate
Property Insights of 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate has 0 hydrogen bond donor(s) and 4 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-, 1,2-diacetate?
The CAS number of 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate is 6270-03-7.
What is the molecular formula of 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate?
The molecular formula of 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate is C12H14O4.
What is the molecular weight of 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate?
The molecular weight of 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate is 222.09 g/mol.
Where can I buy 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate?
You can request a quote for 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate 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-, 1,2-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.