2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate
TL;DR: 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate (CAS 445463-63-8) is a chemical compound with molecular formula C13H16Cl3O6PS and molecular weight 435.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,2-trichloro-1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethyl] benzenesulfonate
Also Known As: 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate, [2,2,2-trichloro-1-(5,5-dimethyl-2-oxo-1,3,2, 1-(5,5-dimethyl-2-oxo(1,3,2-dioxaphosphan-2-yl))-2,2,2-trichloroethyl benzenes ulfonate, [2,2,2-trichloro-1-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)ethyl] benzenesulfonate, 2,2,2-TRICHLORO-1-(5,5-DIMETHYL-2-OXO-1,3,2??-DIOXAPHOSPHINAN-2-YL)ETHYL BENZENESULFONATE
| Molecular Formula | C13H16Cl3O6PS |
|---|---|
| Molecular Weight | 435.95 g/mol |
| LogP | 4.3543 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.94708 |
| Heavy Atoms | 24 |
| Complexity | 717.824 |
Chemical Identifiers
| CAS Number | 445463-63-8 |
|---|---|
| SMILES | CC1(COP(=O)(OC1)C(C(Cl)(Cl)Cl)OS(=O)(=O)C2=CC=CC=C2)C |
Product Overview
2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate (CAS 445463-63-8), with molecular formula C13H16Cl3O6PS and molecular weight 435.95 g/mol. IUPAC: [2,2,2-trichloro-1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethyl] benzenesulfonate.
Chemical Property Profile of 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate
Property Insights of 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate
The XLogP value of 4.3543 indicates that 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate. Following Lipinski's Rule of Five, 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate has 0 hydrogen bond donor(s) and 6 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 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate?
The CAS number of 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate is 445463-63-8.
What is the molecular formula of 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate?
The molecular formula of 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate is C13H16Cl3O6PS.
What is the molecular weight of 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate?
The molecular weight of 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate is 435.95 g/mol.
Where can I buy 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate?
You can request a quote for 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trichloro-1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)ethyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.