Pentafluorophenyl 4-methoxybenzene-1-sulfonate
TL;DR: Pentafluorophenyl 4-methoxybenzene-1-sulfonate (CAS 663175-94-8) is a chemical compound with molecular formula C13H7F5O4S and molecular weight 354.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) 4-methoxybenzenesulfonate
Also Known As: 2,3,4,5,6-Pentafluorophenyl 4-methoxybenzenesulfonate, pentafluorophenyl 4-methoxybenzenesulfonate, Perfluorophenyl 4-Methoxybenzenesulfonate, pentafluorophenylmethoxybenzenesulfonate, (2,3,4,5,6-pentafluorophenyl) 4-methoxybenzenesulfonate
| Molecular Formula | C13H7F5O4S |
|---|---|
| Molecular Weight | 354.00 g/mol |
| LogP | 3.1584 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.99854 |
| Heavy Atoms | 23 |
| Complexity | 820.654 |
Chemical Identifiers
| CAS Number | 663175-94-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
Pentafluorophenyl 4-methoxybenzene-1-sulfonate (CAS 663175-94-8), with molecular formula C13H7F5O4S and molecular weight 354.00 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 4-methoxybenzenesulfonate.
Chemical Property Profile of Pentafluorophenyl 4-methoxybenzene-1-sulfonate
Property Insights of Pentafluorophenyl 4-methoxybenzene-1-sulfonate
The XLogP value of 3.1584 indicates that Pentafluorophenyl 4-methoxybenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Pentafluorophenyl 4-methoxybenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorophenyl 4-methoxybenzene-1-sulfonate has 0 hydrogen bond donor(s) and 4 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 Pentafluorophenyl 4-methoxybenzene-1-sulfonate?
The CAS number of Pentafluorophenyl 4-methoxybenzene-1-sulfonate is 663175-94-8.
What is the molecular formula of Pentafluorophenyl 4-methoxybenzene-1-sulfonate?
The molecular formula of Pentafluorophenyl 4-methoxybenzene-1-sulfonate is C13H7F5O4S.
What is the molecular weight of Pentafluorophenyl 4-methoxybenzene-1-sulfonate?
The molecular weight of Pentafluorophenyl 4-methoxybenzene-1-sulfonate is 354.00 g/mol.
Where can I buy Pentafluorophenyl 4-methoxybenzene-1-sulfonate?
You can request a quote for Pentafluorophenyl 4-methoxybenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluorophenyl 4-methoxybenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pentafluorophenyl 4-methoxybenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.