1,1-乙二醇二乙酸酯
TL;DR: 1,1-乙二醇二乙酸酯 (CAS 542-10-9) is a chemical compound with molecular formula C14H10Cl2O2 and molecular weight 280.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-乙二醇二乙酸酯
1,2-bis(4-chlorophenyl)-2-hydroxyethanone
Also Known As: 1,2-Bis(4-chlorophenyl)-2-hydroxyethanone, 4,4'-dichlorobenzoin, 4,4-dichlorobenzoin, Benzoin,4'-dichloro-, Benzoin,4,4'-dichloro
| Molecular Formula | C14H10Cl2O2 |
|---|---|
| Molecular Weight | 280.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0058 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 542-10-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)Cl)O)Cl |
| InChIKey | UCXPESOPEKJXJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-乙二醇二乙酸酯 (CAS 542-10-9), with molecular formula C14H10Cl2O2 and molecular weight 280.01 g/mol. IUPAC: 1,2-bis(4-chlorophenyl)-2-hydroxyethanone.
Chemical Property Profile of 1,1-乙二醇二乙酸酯
Property Insights of 1,1-乙二醇二乙酸酯
The XLogP value of 3.4 indicates that 1,1-乙二醇二乙酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1,1-乙二醇二乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-乙二醇二乙酸酯 has 1 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 1,1-乙二醇二乙酸酯?
The CAS number of 1,1-乙二醇二乙酸酯 is 542-10-9.
What is the molecular formula of 1,1-乙二醇二乙酸酯?
The molecular formula of 1,1-乙二醇二乙酸酯 is C14H10Cl2O2.
What is the molecular weight of 1,1-乙二醇二乙酸酯?
The molecular weight of 1,1-乙二醇二乙酸酯 is 280.01 g/mol.
Where can I buy 1,1-乙二醇二乙酸酯?
You can request a quote for 1,1-乙二醇二乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-乙二醇二乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,1-乙二醇二乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.