4-Nitrophenyl trifluoromethanesulfonate
TL;DR: 4-Nitrophenyl trifluoromethanesulfonate (CAS 17763-80-3) is a chemical compound with molecular formula C7H4F3NO5S and molecular weight 270.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) trifluoromethanesulfonate
Also Known As: 4-Nitrophenyl trifluoromethanesulfonate, 4-Nitrophenyltriflate, 4-Nitrophenyl triflate, (4-nitrophenyl) trifluoromethanesulfonate, 4-nitrophenyltrifluoromethanesulfonate
| Molecular Formula | C7H4F3NO5S |
|---|---|
| Molecular Weight | 270.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.97623 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 17763-80-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)C(F)(F)F |
| InChIKey | NDTIXHNCNLKURN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl trifluoromethanesulfonate (CAS 17763-80-3), with molecular formula C7H4F3NO5S and molecular weight 270.98 g/mol. IUPAC: (4-nitrophenyl) trifluoromethanesulfonate.
Chemical Property Profile of 4-Nitrophenyl trifluoromethanesulfonate
Property Insights of 4-Nitrophenyl trifluoromethanesulfonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl trifluoromethanesulfonate. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl trifluoromethanesulfonate. Following Lipinski's Rule of Five, 4-Nitrophenyl trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 8 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 4-Nitrophenyl trifluoromethanesulfonate?
The CAS number of 4-Nitrophenyl trifluoromethanesulfonate is 17763-80-3.
What is the molecular formula of 4-Nitrophenyl trifluoromethanesulfonate?
The molecular formula of 4-Nitrophenyl trifluoromethanesulfonate is C7H4F3NO5S.
What is the molecular weight of 4-Nitrophenyl trifluoromethanesulfonate?
The molecular weight of 4-Nitrophenyl trifluoromethanesulfonate is 270.98 g/mol.
Where can I buy 4-Nitrophenyl trifluoromethanesulfonate?
You can request a quote for 4-Nitrophenyl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.