Chloral alcoholate
TL;DR: Chloral alcoholate (CAS 515-83-3) is a chemical compound with molecular formula C4H7Cl3O2 and molecular weight 191.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-ethoxyethanol
Also Known As: 2,2,2-Trichloro-1-ethoxyethanol, Chloral alcoholate, Chloral semiacetal, Chloralalkoholat, Chloral ethylalcoholate
| Molecular Formula | C4H7Cl3O2 |
|---|---|
| Molecular Weight | 191.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.95116 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 515-83-3 |
|---|---|
| SMILES | CCOC(C(Cl)(Cl)Cl)O |
| InChIKey | DLHWKJDYXPNWAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloral alcoholate (CAS 515-83-3), with molecular formula C4H7Cl3O2 and molecular weight 191.95 g/mol. IUPAC: 2,2,2-trichloro-1-ethoxyethanol.
Chemical Property Profile of Chloral alcoholate
Property Insights of Chloral alcoholate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloral alcoholate. With a topological polar surface area (TPSA) of 29.5 Ų, Chloral alcoholate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloral alcoholate 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 Chloral alcoholate?
The CAS number of Chloral alcoholate is 515-83-3.
What is the molecular formula of Chloral alcoholate?
The molecular formula of Chloral alcoholate is C4H7Cl3O2.
What is the molecular weight of Chloral alcoholate?
The molecular weight of Chloral alcoholate is 191.95 g/mol.
Where can I buy Chloral alcoholate?
You can request a quote for Chloral alcoholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloral alcoholate?
Yes, KEHONG BIO provides custom synthesis services for Chloral alcoholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.