![1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene structure](/static/products/403/40316-45-8.png)
1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene
TL;DR: 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene (CAS 40316-45-8) is a chemical compound with molecular formula C18H22O2S and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trimethyl-2-(3-propan-2-ylphenyl)sulfonylbenzene
Also Known As: AE-848/30743022, 1,3,5-trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene, 1,3,5-trimethyl-2-(3-propan-2-ylphenyl)sulfonylbenzene, 2-[(3-isopropylphenyl)sulfonyl]-1,3,5-trimethylbenzene, 1,3,5-trimethyl-2-{[3-(methylethyl)phenyl]sulfonyl}benzene
| Molecular Formula | C18H22O2S |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 4.56806 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.13406 |
| Heavy Atoms | 21 |
| Complexity | 748.5505 |
Chemical Identifiers
| CAS Number | 40316-45-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=CC(=C2)C(C)C)C |
Product Overview
1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene (CAS 40316-45-8), with molecular formula C18H22O2S and molecular weight 302.13 g/mol. IUPAC: 1,3,5-trimethyl-2-(3-propan-2-ylphenyl)sulfonylbenzene.
Chemical Property Profile of 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene
Property Insights of 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene
The XLogP value of 4.56806 indicates that 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene 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 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene?
The CAS number of 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene is 40316-45-8.
What is the molecular formula of 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene?
The molecular formula of 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene is C18H22O2S.
What is the molecular weight of 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene?
The molecular weight of 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene is 302.13 g/mol.
Where can I buy 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene?
You can request a quote for 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Trimethyl-2-{[3-(propan-2-yl)phenyl]sulfonyl}benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.