1,2-二氯乙醇醋酸酯
TL;DR: 1,2-二氯乙醇醋酸酯 (CAS 10140-87-1) is a chemical compound with molecular formula C4H6Cl2O2 and molecular weight 155.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-二氯乙醇醋酸酯
1,2-dichloroethyl acetate
Also Known As: 1,2-Dichloroethyl acetate, 1,2-Dichloroethanol acetate, dichloroethylacetate, Acetic acid 1,2-dichloroethyl ester, Tadalafil Impurity 58
| Molecular Formula | C4H6Cl2O2 |
|---|---|
| Molecular Weight | 155.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.97449 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
| Melting Point | Less than -32.2 °C |
| Boiling Point | 136 to 65.0 °C at 13 mmHg |
| Density | 1.296 at 20.0 °C |
| Solubility | Miscible with alcohol and ethyl ether, immiscible with water |
| Flash Point | 152.8 °C |
| Refractive Index | 1.444 at 20 °C |
Chemical Identifiers
| CAS Number | 10140-87-1 |
|---|---|
| SMILES | CC(=O)OC(CCl)Cl |
| InChIKey | QRNBACUXNLBSDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-二氯乙醇醋酸酯 (CAS 10140-87-1), with molecular formula C4H6Cl2O2 and molecular weight 155.97 g/mol. IUPAC: 1,2-dichloroethyl acetate.
Chemical Property Profile of 1,2-二氯乙醇醋酸酯
Property Insights of 1,2-二氯乙醇醋酸酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-二氯乙醇醋酸酯. With a topological polar surface area (TPSA) of 26.3 Ų, 1,2-二氯乙醇醋酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-二氯乙醇醋酸酯 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 1,2-二氯乙醇醋酸酯?
The CAS number of 1,2-二氯乙醇醋酸酯 is 10140-87-1.
What is the molecular formula of 1,2-二氯乙醇醋酸酯?
The molecular formula of 1,2-二氯乙醇醋酸酯 is C4H6Cl2O2.
What is the molecular weight of 1,2-二氯乙醇醋酸酯?
The molecular weight of 1,2-二氯乙醇醋酸酯 is 155.97 g/mol.
Where can I buy 1,2-二氯乙醇醋酸酯?
You can request a quote for 1,2-二氯乙醇醋酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-二氯乙醇醋酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,2-二氯乙醇醋酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.