1,1,1-Trichloro-2,2-diethoxyethane
TL;DR: 1,1,1-Trichloro-2,2-diethoxyethane (CAS 599-97-3) is a chemical compound with molecular formula CCOC(C(Cl)(Cl)Cl)OCC and molecular weight 219.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloro-2,2-diethoxyethane
Also Known As: Trichloroacetal, Chloral-diathylacetal, Chloral diethyl acetal, 1,1,1-trichloro-2,2-diethoxyethane, Ethane, 1,1,1-trichloro-2,2-diethoxy-
| Molecular Formula | CCOC(C(Cl)(Cl)Cl)OCC |
|---|---|
| Molecular Weight | 219.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.98247 |
| Heavy Atoms | 11 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 599-97-3 |
|---|---|
| SMILES | CCOC(C(Cl)(Cl)Cl)OCC |
| InChIKey | CGCJBAIEQANINV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trichloro-2,2-diethoxyethane (CAS 599-97-3), with molecular formula CCOC(C(Cl)(Cl)Cl)OCC and molecular weight 219.98 g/mol. IUPAC: 1,1,1-trichloro-2,2-diethoxyethane.
Chemical Property Profile of 1,1,1-Trichloro-2,2-diethoxyethane
Property Insights of 1,1,1-Trichloro-2,2-diethoxyethane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trichloro-2,2-diethoxyethane. With a topological polar surface area (TPSA) of 18.5 Ų, 1,1,1-Trichloro-2,2-diethoxyethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichloro-2,2-diethoxyethane 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 1,1,1-Trichloro-2,2-diethoxyethane?
The CAS number of 1,1,1-Trichloro-2,2-diethoxyethane is 599-97-3.
What is the molecular formula of 1,1,1-Trichloro-2,2-diethoxyethane?
The molecular formula of 1,1,1-Trichloro-2,2-diethoxyethane is CCOC(C(Cl)(Cl)Cl)OCC.
What is the molecular weight of 1,1,1-Trichloro-2,2-diethoxyethane?
The molecular weight of 1,1,1-Trichloro-2,2-diethoxyethane is 219.98 g/mol.
Where can I buy 1,1,1-Trichloro-2,2-diethoxyethane?
You can request a quote for 1,1,1-Trichloro-2,2-diethoxyethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trichloro-2,2-diethoxyethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichloro-2,2-diethoxyethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.