4-Hydroxybutyl 4-methylbenzenesulfonate
TL;DR: 4-Hydroxybutyl 4-methylbenzenesulfonate (CAS 106821-51-6) is a chemical compound with molecular formula C11H16O4S and molecular weight 244.07693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxybutyl 4-methylbenzenesulfonate
Also Known As: 4-(Tosyloxy)-1-butanol, 4-hydroxybutyl 4-methylbenzenesulfonate, 1,4-Butanediol 1-tosylate, 4-(4-methylphenyl)sulfonyloxybutan-1-ol, 1,4-Butanediol, 1-(4-methylbenzenesulfonate)
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16O4S |
| Molecular Weight | 244.07693 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.07693 Da |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCCO |
| InChIKey | STLYIJKWJRYPCI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxybutyl 4-methylbenzenesulfonate
Property Insights of 4-Hydroxybutyl 4-methylbenzenesulfonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybutyl 4-methylbenzenesulfonate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxybutyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 4-Hydroxybutyl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Hydroxybutyl 4-methylbenzenesulfonate?
The CAS number of 4-Hydroxybutyl 4-methylbenzenesulfonate is 106821-51-6.
What is the molecular formula of 4-Hydroxybutyl 4-methylbenzenesulfonate?
The molecular formula of 4-Hydroxybutyl 4-methylbenzenesulfonate is C11H16O4S.
What is the molecular weight of 4-Hydroxybutyl 4-methylbenzenesulfonate?
The molecular weight of 4-Hydroxybutyl 4-methylbenzenesulfonate is 244.07693 g/mol.
Where can I buy 4-Hydroxybutyl 4-methylbenzenesulfonate?
You can request a quote for 4-Hydroxybutyl 4-methylbenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxybutyl 4-methylbenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxybutyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.