2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate
TL;DR: 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate (CAS 27448-04-0) is a chemical compound with molecular formula C12H12F6O4S and molecular weight 366.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,3,3,4,4-hexafluoro-5-hydroxypentyl) 4-methylbenzenesulfonate
Also Known As: 2,2,3,3,4,4-hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate, A1-21154, 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzene-1-sulfonate, (2,2,3,3,4,4-hexafluoro-5-hydroxypentyl) 4-methylbenzenesulfonate, 1,5-Pentanediol,2,2,3,3,4,4-hexafluoro-, 1-(4-methylbenzenesulfonate)
| Molecular Formula | C12H12F6O4S |
|---|---|
| Molecular Weight | 366.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.03604 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 27448-04-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(CO)(F)F)(F)F)(F)F |
| InChIKey | QKIYIFRDNZARRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate (CAS 27448-04-0), with molecular formula C12H12F6O4S and molecular weight 366.04 g/mol. IUPAC: (2,2,3,3,4,4-hexafluoro-5-hydroxypentyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate
Property Insights of 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 10 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 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate?
The CAS number of 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate is 27448-04-0.
What is the molecular formula of 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate?
The molecular formula of 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate is C12H12F6O4S.
What is the molecular weight of 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate?
The molecular weight of 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate is 366.04 g/mol.
Where can I buy 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate?
You can request a quote for 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.