1,1-Ethanediol, 2-phenyl-, 1,1-diacetate
TL;DR: 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate (CAS 20803-88-7) 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.
(1-acetyloxy-2-phenylethyl) acetate
Also Known As: 2-phenylethane-1,1-diyl diacetate, 2-Phenyl-1,1-ethanediol, diacetate, 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate, 1,1-Ethanediol, 2-phenyl-, diacetate, 2-Phenyl-1,1-ethanediol diacetate
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.1 |
| 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 | 227.0 |
Chemical Identifiers
| CAS Number | 20803-88-7 |
|---|---|
| SMILES | CC(=O)OC(CC1=CC=CC=C1)OC(=O)C |
| InChIKey | OOKJPCMVVRIOSO-UHFFFAOYSA-N |
Product Overview
1,1-Ethanediol, 2-phenyl-, 1,1-diacetate (CAS 20803-88-7), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: (1-acetyloxy-2-phenylethyl) acetate.
Chemical Property Profile of 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate
Property Insights of 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Ethanediol, 2-phenyl-, 1,1-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 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate?
The CAS number of 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate is 20803-88-7.
What is the molecular formula of 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate?
The molecular formula of 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate is C12H14O4.
What is the molecular weight of 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate?
The molecular weight of 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate is 222.09 g/mol.
Where can I buy 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate?
You can request a quote for 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.