1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene
TL;DR: 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene (CAS 87750-50-3) is a chemical compound with molecular formula C13H9F3O3S and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-(trifluoromethoxy)benzene
Also Known As: EINECS 289-341-6, 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene, 1-(benzenesulfonyl)-4-(trifluoromethoxy)benzene, Phenyl(4-trifluoromethoxyphenyl) sulfone, 1-(PHENYLSULFONYL)-4-(TRIFLUOROMETHOXY)BENZENE
| Molecular Formula | C13H9F3O3S |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 3.418 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.02246 |
| Heavy Atoms | 20 |
| Complexity | 677.0514 |
Chemical Identifiers
| CAS Number | 87750-50-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F |
Product Overview
1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene (CAS 87750-50-3), with molecular formula C13H9F3O3S and molecular weight 302.02 g/mol. IUPAC: 1-(benzenesulfonyl)-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene
Property Insights of 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene
The XLogP value of 3.418 indicates that 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene 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 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene?
The CAS number of 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene is 87750-50-3.
What is the molecular formula of 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene?
The molecular formula of 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene is C13H9F3O3S.
What is the molecular weight of 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene?
The molecular weight of 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene is 302.02 g/mol.
Where can I buy 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene?
You can request a quote for 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylsulphonyl)-4-(trifluoromethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.