2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate
TL;DR: 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate (CAS 885950-60-7) is a chemical compound with molecular formula C13H6F5NO5S and molecular weight 382.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) 2-methyl-5-nitrobenzenesulfonate
Also Known As: 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate, pentafluorophenylmethylnitrobenzenesulfonate, Perfluorophenyl 2-methyl-5-nitrobenzenesulfonate, 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulphonate, 2,3,4,5,6-PENTAFLUOROPHENYL2-METHYL-5-NITROBENZENESULFONATE
| Molecular Formula | C13H6F5NO5S |
|---|---|
| Molecular Weight | 382.99 g/mol |
| LogP | 3.36642 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.98868 |
| Heavy Atoms | 25 |
| Complexity | 963.7847 |
Chemical Identifiers
| CAS Number | 885950-60-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate (CAS 885950-60-7), with molecular formula C13H6F5NO5S and molecular weight 382.99 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 2-methyl-5-nitrobenzenesulfonate.
Chemical Property Profile of 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate
Property Insights of 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate
The XLogP value of 3.36642 indicates that 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 5 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 2-methyl-5-nitrobenzenesulfonate?
The CAS number of 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate is 885950-60-7.
What is the molecular formula of 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate?
The molecular formula of 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate is C13H6F5NO5S.
What is the molecular weight of 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate?
The molecular weight of 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate is 382.99 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate?
You can request a quote for 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate 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 2-methyl-5-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorophenyl 2-methyl-5-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.