4-Methylphenyl 2-pyridinylmethyl sulfone
TL;DR: 4-Methylphenyl 2-pyridinylmethyl sulfone (CAS 58414-96-3) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)sulfonylmethyl]pyridine
Also Known As: 4-methylphenyl 2-pyridinylmethyl sulfone, 2-(p-tolylsulfonylmethyl)pyridine, 2-[(4-methylbenzenesulfonyl)methyl]pyridine, 2-[(4-methylphenyl)sulfonylmethyl]pyridine, 4-Methyl-1-((2-pyridylmethyl)sulfonyl)benzene
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.36392 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 589.0764 |
Chemical Identifiers
| CAS Number | 58414-96-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=N2 |
Product Overview
4-Methylphenyl 2-pyridinylmethyl sulfone (CAS 58414-96-3), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 2-[(4-methylphenyl)sulfonylmethyl]pyridine.
Chemical Property Profile of 4-Methylphenyl 2-pyridinylmethyl sulfone
Property Insights of 4-Methylphenyl 2-pyridinylmethyl sulfone
The XLogP value of 2.36392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenyl 2-pyridinylmethyl sulfone. With a topological polar surface area (TPSA) of 47.03 Ų, 4-Methylphenyl 2-pyridinylmethyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 2-pyridinylmethyl sulfone 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 4-Methylphenyl 2-pyridinylmethyl sulfone?
The CAS number of 4-Methylphenyl 2-pyridinylmethyl sulfone is 58414-96-3.
What is the molecular formula of 4-Methylphenyl 2-pyridinylmethyl sulfone?
The molecular formula of 4-Methylphenyl 2-pyridinylmethyl sulfone is C13H13NO2S.
What is the molecular weight of 4-Methylphenyl 2-pyridinylmethyl sulfone?
The molecular weight of 4-Methylphenyl 2-pyridinylmethyl sulfone is 247.07 g/mol.
Where can I buy 4-Methylphenyl 2-pyridinylmethyl sulfone?
You can request a quote for 4-Methylphenyl 2-pyridinylmethyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 2-pyridinylmethyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 2-pyridinylmethyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.