5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate
TL;DR: 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate (CAS 486441-57-0) is a chemical compound with molecular formula C12H10FNO3S and molecular weight 267.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-pyridinyl) 4-fluorobenzenesulfonate
Also Known As: 5-methyl-2-pyridinyl 4-fluorobenzenesulfonate, (5-methylpyridin-2-yl) 4-fluorobenzenesulfonate, AN-652/41104538
| Molecular Formula | C12H10FNO3S |
|---|---|
| Molecular Weight | 267.04 g/mol |
| LogP | 2.29682 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.03653 |
| Heavy Atoms | 18 |
| Complexity | 636.02765 |
Chemical Identifiers
| CAS Number | 486441-57-0 |
|---|---|
| SMILES | CC1=CN=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F |
Product Overview
5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate (CAS 486441-57-0), with molecular formula C12H10FNO3S and molecular weight 267.04 g/mol. IUPAC: (5-methyl-2-pyridinyl) 4-fluorobenzenesulfonate.
Chemical Property Profile of 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate
Property Insights of 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate
The XLogP value of 2.29682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate. With a topological polar surface area (TPSA) of 56.26 Ų, 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate 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 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate?
The CAS number of 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate is 486441-57-0.
What is the molecular formula of 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate?
The molecular formula of 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate is C12H10FNO3S.
What is the molecular weight of 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate?
The molecular weight of 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate is 267.04 g/mol.
Where can I buy 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate?
You can request a quote for 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-pyridinyl 4-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.