Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester
TL;DR: Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester (CAS 433-10-3) is a chemical compound with molecular formula C11H15FO3S and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluorobutyl 4-methylbenzenesulfonate
Also Known As: Fluorobutyl tosylate, 4-Fluorobutyl 4-methylbenzenesulfonate, 4-fluorobutyl tosylate, 4-Fluorobutyl p-toluenesulphonate, 4-fluorobutyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C11H15FO3S |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.07259 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 433-10-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCCF |
| InChIKey | BMXYJHYTNRYYNY-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester (CAS 433-10-3), with molecular formula C11H15FO3S and molecular weight 246.07 g/mol. IUPAC: 4-fluorobutyl 4-methylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester
Property Insights of Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester. With a topological polar surface area (TPSA) of 51.8 Ų, Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester has 0 hydrogen bond donor(s) and 4 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 Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester?
The CAS number of Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester is 433-10-3.
What is the molecular formula of Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester?
The molecular formula of Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester is C11H15FO3S.
What is the molecular weight of Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester?
The molecular weight of Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester is 246.07 g/mol.
Where can I buy Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester?
You can request a quote for Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-methyl-, 4-fluorobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.