2-Pyridylmethyl toluene-4-sulfonate
TL;DR: 2-Pyridylmethyl toluene-4-sulfonate (CAS 19820-76-9) is a chemical compound with molecular formula C13H13NO3S and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-ylmethyl 4-methylbenzenesulfonate
Also Known As: 2-pyridylmethyl toluene-4-sulfonate, 2,6-[(tosyloxy)methyl]pyridine, (pyridin-2-yl)methyl 4-methylbenzene-1-sulfonate, pyridin-2-ylmethyl 4-methylbenzenesulfonate, Toluene-4-sulfonic acid pyridine-2-ylmethyl ester
| Molecular Formula | C13H13NO3S |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 2.29552 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0616 |
| Heavy Atoms | 18 |
| Complexity | 606.44446 |
Chemical Identifiers
| CAS Number | 19820-76-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=N2 |
Product Overview
2-Pyridylmethyl toluene-4-sulfonate (CAS 19820-76-9), with molecular formula C13H13NO3S and molecular weight 263.06 g/mol. IUPAC: pyridin-2-ylmethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Pyridylmethyl toluene-4-sulfonate
Property Insights of 2-Pyridylmethyl toluene-4-sulfonate
The XLogP value of 2.29552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridylmethyl toluene-4-sulfonate. With a topological polar surface area (TPSA) of 56.26 Ų, 2-Pyridylmethyl toluene-4-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyridylmethyl toluene-4-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 2-Pyridylmethyl toluene-4-sulfonate?
The CAS number of 2-Pyridylmethyl toluene-4-sulfonate is 19820-76-9.
What is the molecular formula of 2-Pyridylmethyl toluene-4-sulfonate?
The molecular formula of 2-Pyridylmethyl toluene-4-sulfonate is C13H13NO3S.
What is the molecular weight of 2-Pyridylmethyl toluene-4-sulfonate?
The molecular weight of 2-Pyridylmethyl toluene-4-sulfonate is 263.06 g/mol.
Where can I buy 2-Pyridylmethyl toluene-4-sulfonate?
You can request a quote for 2-Pyridylmethyl toluene-4-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridylmethyl toluene-4-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridylmethyl toluene-4-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.