m-((p-Fluorophenyl)sulphonyl)toluene
TL;DR: m-((p-Fluorophenyl)sulphonyl)toluene (CAS 87787-49-3) is a chemical compound with molecular formula C13H11FO2S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)sulfonyl-3-methylbenzene
Also Known As: m-((p-Fluorophenyl)sulphonyl)toluene, m-[ sulphonyl]toluene, starbld0034942, EINECS 289-347-9, 1-(4-fluorophenyl)sulfonyl-3-methylbenzene
| Molecular Formula | C13H11FO2S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.96692 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.04637 |
| Heavy Atoms | 17 |
| Complexity | 630.72394 |
Chemical Identifiers
| CAS Number | 87787-49-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)C2=CC=C(C=C2)F |
Product Overview
m-((p-Fluorophenyl)sulphonyl)toluene (CAS 87787-49-3), with molecular formula C13H11FO2S and molecular weight 250.05 g/mol. IUPAC: 1-(4-fluorophenyl)sulfonyl-3-methylbenzene.
Chemical Property Profile of m-((p-Fluorophenyl)sulphonyl)toluene
Property Insights of m-((p-Fluorophenyl)sulphonyl)toluene
The XLogP value of 2.96692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-((p-Fluorophenyl)sulphonyl)toluene. With a topological polar surface area (TPSA) of 34.14 Ų, m-((p-Fluorophenyl)sulphonyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-((p-Fluorophenyl)sulphonyl)toluene 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 m-((p-Fluorophenyl)sulphonyl)toluene?
The CAS number of m-((p-Fluorophenyl)sulphonyl)toluene is 87787-49-3.
What is the molecular formula of m-((p-Fluorophenyl)sulphonyl)toluene?
The molecular formula of m-((p-Fluorophenyl)sulphonyl)toluene is C13H11FO2S.
What is the molecular weight of m-((p-Fluorophenyl)sulphonyl)toluene?
The molecular weight of m-((p-Fluorophenyl)sulphonyl)toluene is 250.05 g/mol.
Where can I buy m-((p-Fluorophenyl)sulphonyl)toluene?
You can request a quote for m-((p-Fluorophenyl)sulphonyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-((p-Fluorophenyl)sulphonyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for m-((p-Fluorophenyl)sulphonyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.