4-Methylphenyl trifluoromethanesulphonate
TL;DR: 4-Methylphenyl trifluoromethanesulphonate (CAS 29780-00-5) is a chemical compound with molecular formula C8H7F3O3S and molecular weight 240.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) trifluoromethanesulfonate
Also Known As: p-Tolyl trifluoromethanesulfonate, p-Tolyl triflate, P-TOLYLTRIFLATE, 4-Tolyl trifluoromethanesulfonate, 4-Methylphenyl trifluoromethanesulfonate
| Molecular Formula | C8H7F3O3S |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.0068 |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 29780-00-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F |
| InChIKey | XXSBXVHIYGQWDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylphenyl trifluoromethanesulphonate (CAS 29780-00-5), with molecular formula C8H7F3O3S and molecular weight 240.01 g/mol. IUPAC: (4-methylphenyl) trifluoromethanesulfonate.
Chemical Property Profile of 4-Methylphenyl trifluoromethanesulphonate
Property Insights of 4-Methylphenyl trifluoromethanesulphonate
The XLogP value of 3.0 indicates that 4-Methylphenyl trifluoromethanesulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Methylphenyl trifluoromethanesulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl trifluoromethanesulphonate 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 4-Methylphenyl trifluoromethanesulphonate?
The CAS number of 4-Methylphenyl trifluoromethanesulphonate is 29780-00-5.
What is the molecular formula of 4-Methylphenyl trifluoromethanesulphonate?
The molecular formula of 4-Methylphenyl trifluoromethanesulphonate is C8H7F3O3S.
What is the molecular weight of 4-Methylphenyl trifluoromethanesulphonate?
The molecular weight of 4-Methylphenyl trifluoromethanesulphonate is 240.01 g/mol.
Where can I buy 4-Methylphenyl trifluoromethanesulphonate?
You can request a quote for 4-Methylphenyl trifluoromethanesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl trifluoromethanesulphonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl trifluoromethanesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.