4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate
TL;DR: 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate (CAS 26685-53-0) is a chemical compound with molecular formula C13H19BrO4S and molecular weight 350.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-4-methylpentan-2-yl) 4-bromobenzenesulfonate
Also Known As: 4-Methoxy-4-methyl-2-pentyl-p-bromobenzenesulfonate, 4-methoxy-4-methylpentan-2-yl 4-bromobenzenesulfonate, 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate, Benzenesulfonic acid, p-bromo-, 4-methoxy-4-methyl-2-pentyl ester, (4-methoxy-4-methylpentan-2-yl) 4-bromobenzenesulfonate
| Molecular Formula | C13H19BrO4S |
|---|---|
| Molecular Weight | 350.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.01874 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 26685-53-0 |
|---|---|
| SMILES | CC(CC(C)(C)OC)OS(=O)(=O)C1=CC=C(C=C1)Br |
| InChIKey | PMRGKKKILGALMX-UHFFFAOYSA-N |
Product Overview
4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate (CAS 26685-53-0), with molecular formula C13H19BrO4S and molecular weight 350.02 g/mol. IUPAC: (4-methoxy-4-methylpentan-2-yl) 4-bromobenzenesulfonate.
Chemical Property Profile of 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate
Property Insights of 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate
The XLogP value of 3.2 indicates that 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate 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 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate?
The CAS number of 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate is 26685-53-0.
What is the molecular formula of 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate?
The molecular formula of 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate is C13H19BrO4S.
What is the molecular weight of 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate?
The molecular weight of 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate is 350.02 g/mol.
Where can I buy 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate?
You can request a quote for 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.