Chloroacetic trichloroacetic anhydride
TL;DR: Chloroacetic trichloroacetic anhydride (CAS 69995-94-4) is a chemical compound with molecular formula C4H2Cl4O3 and molecular weight 237.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloroacetyl) 2,2,2-trichloroacetate
Also Known As: chloroacetic trichloroacetic anhydride, (2-chloroacetyl) 2,2,2-trichloroacetate
| Molecular Formula | C4H2Cl4O3 |
|---|---|
| Molecular Weight | 237.88 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.87581 |
| Heavy Atoms | 11 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 69995-94-4 |
|---|---|
| SMILES | C(C(=O)OC(=O)C(Cl)(Cl)Cl)Cl |
| InChIKey | FDVNZMBZEYONIV-UHFFFAOYSA-N |
Product Overview
Chloroacetic trichloroacetic anhydride (CAS 69995-94-4), with molecular formula C4H2Cl4O3 and molecular weight 237.88 g/mol. IUPAC: (2-chloroacetyl) 2,2,2-trichloroacetate.
Chemical Property Profile of Chloroacetic trichloroacetic anhydride
Property Insights of Chloroacetic trichloroacetic anhydride
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroacetic trichloroacetic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, Chloroacetic trichloroacetic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroacetic trichloroacetic anhydride has 0 hydrogen bond donor(s) and 3 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 Chloroacetic trichloroacetic anhydride?
The CAS number of Chloroacetic trichloroacetic anhydride is 69995-94-4.
What is the molecular formula of Chloroacetic trichloroacetic anhydride?
The molecular formula of Chloroacetic trichloroacetic anhydride is C4H2Cl4O3.
What is the molecular weight of Chloroacetic trichloroacetic anhydride?
The molecular weight of Chloroacetic trichloroacetic anhydride is 237.88 g/mol.
Where can I buy Chloroacetic trichloroacetic anhydride?
You can request a quote for Chloroacetic trichloroacetic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroacetic trichloroacetic anhydride?
Yes, KEHONG BIO provides custom synthesis services for Chloroacetic trichloroacetic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.