1-Naphthyl trifluoromethanesulfonate
TL;DR: 1-Naphthyl trifluoromethanesulfonate (CAS 99747-74-7) is a chemical compound with molecular formula C11H7F3O3S and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl trifluoromethanesulfonate
Also Known As: 1-Naphthyl trifluoromethanesulfonate, 1-Naphthyl triflate, naphthalen-1-yl trifluoromethanesulfonate, naphthyl triflate, 1-naphthyl-triflate
| Molecular Formula | C11H7F3O3S |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.0068 |
| Heavy Atoms | 18 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 99747-74-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)C(F)(F)F |
| InChIKey | WQWUQDVFRYMMCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthyl trifluoromethanesulfonate (CAS 99747-74-7), with molecular formula C11H7F3O3S and molecular weight 276.01 g/mol. IUPAC: naphthalen-1-yl trifluoromethanesulfonate.
Chemical Property Profile of 1-Naphthyl trifluoromethanesulfonate
Property Insights of 1-Naphthyl trifluoromethanesulfonate
The XLogP value of 4.4 indicates that 1-Naphthyl trifluoromethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 1-Naphthyl trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthyl trifluoromethanesulfonate 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 1-Naphthyl trifluoromethanesulfonate?
The CAS number of 1-Naphthyl trifluoromethanesulfonate is 99747-74-7.
What is the molecular formula of 1-Naphthyl trifluoromethanesulfonate?
The molecular formula of 1-Naphthyl trifluoromethanesulfonate is C11H7F3O3S.
What is the molecular weight of 1-Naphthyl trifluoromethanesulfonate?
The molecular weight of 1-Naphthyl trifluoromethanesulfonate is 276.01 g/mol.
Where can I buy 1-Naphthyl trifluoromethanesulfonate?
You can request a quote for 1-Naphthyl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthyl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthyl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.