Pyridin-3-yl 4-methylbenzene-1-sulfonate
TL;DR: Pyridin-3-yl 4-methylbenzene-1-sulfonate (CAS 67284-17-7) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-yl 4-methylbenzenesulfonate
Also Known As: pyridin-3-yl tosylate, 3-(Tosyloxy)pyridine, pyridin-3-yl 4-methylbenzene-1-sulfonate, 3-pyridyl p-toluenesulphonate, 3-Pyridinyl p-toluenesulfonate
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 2.15772 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 591.4077 |
Chemical Identifiers
| CAS Number | 67284-17-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CN=CC=C2 |
Product Overview
Pyridin-3-yl 4-methylbenzene-1-sulfonate (CAS 67284-17-7), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: pyridin-3-yl 4-methylbenzenesulfonate.
Chemical Property Profile of Pyridin-3-yl 4-methylbenzene-1-sulfonate
Property Insights of Pyridin-3-yl 4-methylbenzene-1-sulfonate
The XLogP value of 2.15772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridin-3-yl 4-methylbenzene-1-sulfonate. With a topological polar surface area (TPSA) of 56.26 Ų, Pyridin-3-yl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridin-3-yl 4-methylbenzene-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 Pyridin-3-yl 4-methylbenzene-1-sulfonate?
The CAS number of Pyridin-3-yl 4-methylbenzene-1-sulfonate is 67284-17-7.
What is the molecular formula of Pyridin-3-yl 4-methylbenzene-1-sulfonate?
The molecular formula of Pyridin-3-yl 4-methylbenzene-1-sulfonate is C12H11NO3S.
What is the molecular weight of Pyridin-3-yl 4-methylbenzene-1-sulfonate?
The molecular weight of Pyridin-3-yl 4-methylbenzene-1-sulfonate is 249.05 g/mol.
Where can I buy Pyridin-3-yl 4-methylbenzene-1-sulfonate?
You can request a quote for Pyridin-3-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridin-3-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pyridin-3-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.