双(2-三氯乙基)氯代磷酸酯
TL;DR: 双(2-三氯乙基)氯代磷酸酯 (CAS 17672-53-6) is a chemical compound with molecular formula C4H4Cl7O3P and molecular weight 375.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(2-三氯乙基)氯代磷酸酯
1,1,1-trichloro-2-[chloro(2,2,2-trichloroethoxy)phosphoryl]oxyethane
Also Known As: Bis(2,2,2-trichloroethyl) phosphorochloridate, Bis(2-trichloroethyl) chlorophosphonate, ZHHCWQGVXYGWCW-UHFFFAOYSA-, Phosphorochloridic acid, bis(2,2,2-trichloroethyl) ester, bis(2,2,2-trichloroethyl) chlorophosphonate
| Molecular Formula | C4H4Cl7O3P |
|---|---|
| Molecular Weight | 375.77 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.76883 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 17672-53-6 |
|---|---|
| SMILES | C(C(Cl)(Cl)Cl)OP(=O)(OCC(Cl)(Cl)Cl)Cl |
| InChIKey | ZHHCWQGVXYGWCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(2-三氯乙基)氯代磷酸酯 (CAS 17672-53-6), with molecular formula C4H4Cl7O3P and molecular weight 375.77 g/mol. IUPAC: 1,1,1-trichloro-2-[chloro(2,2,2-trichloroethoxy)phosphoryl]oxyethane.
Chemical Property Profile of 双(2-三氯乙基)氯代磷酸酯
Property Insights of 双(2-三氯乙基)氯代磷酸酯
The XLogP value of 4.0 indicates that 双(2-三氯乙基)氯代磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 双(2-三氯乙基)氯代磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(2-三氯乙基)氯代磷酸酯 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 双(2-三氯乙基)氯代磷酸酯?
The CAS number of 双(2-三氯乙基)氯代磷酸酯 is 17672-53-6.
What is the molecular formula of 双(2-三氯乙基)氯代磷酸酯?
The molecular formula of 双(2-三氯乙基)氯代磷酸酯 is C4H4Cl7O3P.
What is the molecular weight of 双(2-三氯乙基)氯代磷酸酯?
The molecular weight of 双(2-三氯乙基)氯代磷酸酯 is 375.77 g/mol.
Where can I buy 双(2-三氯乙基)氯代磷酸酯?
You can request a quote for 双(2-三氯乙基)氯代磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(2-三氯乙基)氯代磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 双(2-三氯乙基)氯代磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.