2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate
TL;DR: 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate (CAS 499141-57-0) is a chemical compound with molecular formula C16H17FO3S and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) 4-fluorobenzenesulfonate
Also Known As: 2-isopropyl-5-methylphenyl 4-fluorobenzenesulfonate, 5-Methyl-2-(1-methylethyl)phenyl 4-fluorobenzenesulfonate, (5-methyl-2-propan-2-ylphenyl) 4-fluorobenzenesulfonate, AO-548/41044790
| Molecular Formula | C16H17FO3S |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 4.02522 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.08826 |
| Heavy Atoms | 21 |
| Complexity | 734.61743 |
Chemical Identifiers
| CAS Number | 499141-57-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)F |
Product Overview
2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate (CAS 499141-57-0), with molecular formula C16H17FO3S and molecular weight 308.09 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) 4-fluorobenzenesulfonate.
Chemical Property Profile of 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate
Property Insights of 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate
The XLogP value of 4.02522 indicates that 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate 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-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate?
The CAS number of 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate is 499141-57-0.
What is the molecular formula of 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate?
The molecular formula of 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate is C16H17FO3S.
What is the molecular weight of 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate?
The molecular weight of 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate is 308.09 g/mol.
Where can I buy 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate?
You can request a quote for 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methylphenyl 4-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.