2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate (CAS 885950-65-2) is a chemical compound with molecular formula C13H6ClF5O3S and molecular weight 371.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) (3-chlorophenyl)methanesulfonate
Also Known As: 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)-methanesulfonate, 2,3,4,5,6-pentafluorophenyl (3-chlorophenyl)methanesulfonate, pentafluorophenyl (3-chlorophenyl)methanesulfonate, pentafluorophenylchlorophenylmethanesulfonate, Perfluorophenyl (3-chlorophenyl)methanesulfonate
| Molecular Formula | C13H6ClF5O3S |
|---|---|
| Molecular Weight | 371.96 g/mol |
| LogP | 3.9443 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.96463 |
| Heavy Atoms | 23 |
| Complexity | 841.1491 |
Chemical Identifiers
| CAS Number | 885950-65-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CS(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate (CAS 885950-65-2), with molecular formula C13H6ClF5O3S and molecular weight 371.96 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) (3-chlorophenyl)methanesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate
The XLogP value of 3.9443 indicates that 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate has 0 hydrogen bond donor(s) and 3 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 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate is 885950-65-2.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate is C13H6ClF5O3S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate is 371.96 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl)methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.