2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
TL;DR: 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene (CAS 84113-59-7) is a chemical compound with molecular formula C16H18O3S and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
Also Known As: p-Methoxyphenyl-mesitylsulfon, 2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene, Mesityl 4-methoxyphenyl sulfone #, 2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethyl-benzene, 2,4,6-Trimethyl-4 -methoxydiphenyl sulfone
| Molecular Formula | C16H18O3S |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.09766 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 84113-59-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=C(C=C2)OC)C |
| InChIKey | UZRRYQWSKNLAJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene (CAS 84113-59-7), with molecular formula C16H18O3S and molecular weight 290.10 g/mol. IUPAC: 2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene.
Chemical Property Profile of 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
Property Insights of 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
The XLogP value of 3.7 indicates that 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene 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 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene?
The CAS number of 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene is 84113-59-7.
What is the molecular formula of 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene?
The molecular formula of 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene is C16H18O3S.
What is the molecular weight of 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene?
The molecular weight of 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene is 290.10 g/mol.
Where can I buy 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene?
You can request a quote for 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.