2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide
TL;DR: 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide (CAS 66567-84-8) is a chemical compound with molecular formula C5H8Cl3O3P and molecular weight 251.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trichloromethyl)-1,3,2λ5-dioxaphosphepane 2-oxide
Also Known As: 2-(trichloromethyl)-1,3,2, 2-(trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide, 2-(Trichloromethyl)-1,3,2lambda~5~-dioxaphosphepan-2-one, 1,3,2-Dioxaphosphepane,2-(trichloromethyl)-, 2-oxide, 2-(trichloromethyl)-1,3,2
| Molecular Formula | C5H8Cl3O3P |
|---|---|
| Molecular Weight | 251.93 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.92766 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 66567-84-8 |
|---|---|
| SMILES | C1CCOP(=O)(OC1)C(Cl)(Cl)Cl |
| InChIKey | XIMPACAFARNNBL-UHFFFAOYSA-N |
Product Overview
2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide (CAS 66567-84-8), with molecular formula C5H8Cl3O3P and molecular weight 251.93 g/mol. IUPAC: 2-(trichloromethyl)-1,3,2λ5-dioxaphosphepane 2-oxide.
Chemical Property Profile of 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide
Property Insights of 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide. With a topological polar surface area (TPSA) of 35.5 Ų, 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide 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 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide?
The CAS number of 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide is 66567-84-8.
What is the molecular formula of 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide?
The molecular formula of 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide is C5H8Cl3O3P.
What is the molecular weight of 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide?
The molecular weight of 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide is 251.93 g/mol.
Where can I buy 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide?
You can request a quote for 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.