![[2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate structure](/static/products/4336/433697-50-8.webp)
[2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate
TL;DR: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate (CAS 433697-50-8) is a chemical compound with molecular formula C21H21BrO5S and molecular weight 464.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate
Also Known As: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate|2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-methylbenzenesulfonate
| Molecular Formula | C21H21BrO5S |
|---|---|
| Molecular Weight | 464.03 g/mol |
| LogP | 5.06112 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.0293 |
| Heavy Atoms | 28 |
| Complexity | 1035.2085 |
Chemical Identifiers
| CAS Number | 433697-50-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC(C2(C)C)C3=CC=C(C=C3)Br)C |
Product Overview
[2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate (CAS 433697-50-8), with molecular formula C21H21BrO5S and molecular weight 464.03 g/mol. IUPAC: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate
Property Insights of [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate
The XLogP value of 5.06112 indicates that [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate?
The CAS number of [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate is 433697-50-8.
What is the molecular formula of [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate?
The molecular formula of [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate is C21H21BrO5S.
What is the molecular weight of [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate?
The molecular weight of [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate is 464.03 g/mol.
Where can I buy [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate?
You can request a quote for [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 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-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.