1-(Benzylsulfonyl)-4-methylbenzene
TL;DR: 1-(Benzylsulfonyl)-4-methylbenzene (CAS 60810-45-9) is a chemical compound with molecular formula C14H14O2S and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfonyl-4-methylbenzene
Also Known As: 1-(Benzylsulfonyl)-4-methylbenzene, p-Tolylbenzyl sulfone, Benzyl-p-tolyl-sulfon, 1-benzylsulfonyl-4-methylbenzene, BENZYL P-TOLYL SULFONE
| Molecular Formula | C14H14O2S |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.07146 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 60810-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2 |
| InChIKey | OHCLHQCVALHTDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Benzylsulfonyl)-4-methylbenzene (CAS 60810-45-9), with molecular formula C14H14O2S and molecular weight 246.07 g/mol. IUPAC: 1-benzylsulfonyl-4-methylbenzene.
Chemical Property Profile of 1-(Benzylsulfonyl)-4-methylbenzene
Property Insights of 1-(Benzylsulfonyl)-4-methylbenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzylsulfonyl)-4-methylbenzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-(Benzylsulfonyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzylsulfonyl)-4-methylbenzene has 0 hydrogen bond donor(s) and 2 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 1-(Benzylsulfonyl)-4-methylbenzene?
The CAS number of 1-(Benzylsulfonyl)-4-methylbenzene is 60810-45-9.
What is the molecular formula of 1-(Benzylsulfonyl)-4-methylbenzene?
The molecular formula of 1-(Benzylsulfonyl)-4-methylbenzene is C14H14O2S.
What is the molecular weight of 1-(Benzylsulfonyl)-4-methylbenzene?
The molecular weight of 1-(Benzylsulfonyl)-4-methylbenzene is 246.07 g/mol.
Where can I buy 1-(Benzylsulfonyl)-4-methylbenzene?
You can request a quote for 1-(Benzylsulfonyl)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzylsulfonyl)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzylsulfonyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.