2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene
TL;DR: 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene (CAS 22739-91-9) is a chemical compound with molecular formula C12H18O2S and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trimethyl-2-propan-2-ylsulfonylbenzene
Also Known As: isopropyl mesityl sulfone, 2-Propyl mesityl sulfone, Isopropyl(2,4,6-trimethylphenyl) sulfone, 1,3,5-trimethyl-2-(propane-2-sulfonyl)benzene, 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene
| Molecular Formula | C12H18O2S |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 2.79396 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.10275 |
| Heavy Atoms | 15 |
| Complexity | 447.39066 |
Chemical Identifiers
| CAS Number | 22739-91-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)C(C)C)C |
Product Overview
2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene (CAS 22739-91-9), with molecular formula C12H18O2S and molecular weight 226.10 g/mol. IUPAC: 1,3,5-trimethyl-2-propan-2-ylsulfonylbenzene.
Chemical Property Profile of 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene
Property Insights of 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene
The XLogP value of 2.79396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene. With a topological polar surface area (TPSA) of 34.14 Ų, 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene 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 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene?
The CAS number of 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene is 22739-91-9.
What is the molecular formula of 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene?
The molecular formula of 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene is C12H18O2S.
What is the molecular weight of 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene?
The molecular weight of 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene is 226.10 g/mol.
Where can I buy 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene?
You can request a quote for 2-(Isopropylsulfonyl)-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-(Isopropylsulfonyl)-1,3,5-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopropylsulfonyl)-1,3,5-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.