Benzeneselenyl trifalate
TL;DR: Benzeneselenyl trifalate (CAS 1258-86-2) is a chemical compound with molecular formula C7H5F3O3SSe and molecular weight 305.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenylselanyl trifluoromethanesulfonate
Also Known As: Phseotf, Benzeneselenyl trifalate, phenylselenenyl triflate, phenylselanyl trifluoromethanesulfonate, ({[(trifluoromethyl)sulfonyl]oxy}selanyl)benzene
| Molecular Formula | C7H5F3O3SSe |
|---|---|
| Molecular Weight | 305.91 g/mol |
| LogP | 0.7973 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.90768 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 1258-86-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)[Se]OS(=O)(=O)C(F)(F)F |
| InChIKey | WSBBSYJIJBSMBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneselenyl trifalate (CAS 1258-86-2), with molecular formula C7H5F3O3SSe and molecular weight 305.91 g/mol. IUPAC: phenylselanyl trifluoromethanesulfonate.
Chemical Property Profile of Benzeneselenyl trifalate
Property Insights of Benzeneselenyl trifalate
The XLogP value of 0.7973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneselenyl trifalate. With a topological polar surface area (TPSA) of 51.8 Ų, Benzeneselenyl trifalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneselenyl trifalate 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 Benzeneselenyl trifalate?
The CAS number of Benzeneselenyl trifalate is 1258-86-2.
What is the molecular formula of Benzeneselenyl trifalate?
The molecular formula of Benzeneselenyl trifalate is C7H5F3O3SSe.
What is the molecular weight of Benzeneselenyl trifalate?
The molecular weight of Benzeneselenyl trifalate is 305.91 g/mol.
Where can I buy Benzeneselenyl trifalate?
You can request a quote for Benzeneselenyl trifalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneselenyl trifalate?
Yes, KEHONG BIO provides custom synthesis services for Benzeneselenyl trifalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.