2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate
TL;DR: 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate (CAS 672281-29-7) is a chemical compound with molecular formula C20H18Br2O5S and molecular weight 527.92 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-bromobenzenesulfonate
Also Known As: 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate, [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzenesulfonate
| Molecular Formula | C20H18Br2O5S |
|---|---|
| Molecular Weight | 527.92 g/mol |
| LogP | 5.5152 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 527.9242 |
| Heavy Atoms | 28 |
| Complexity | 1039.0085 |
Chemical Identifiers
| CAS Number | 672281-29-7 |
|---|---|
| SMILES | CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C)OS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate (CAS 672281-29-7), with molecular formula C20H18Br2O5S and molecular weight 527.92 g/mol. IUPAC: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzenesulfonate.
Chemical Property Profile of 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate
Property Insights of 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate
The XLogP value of 5.5152 indicates that 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate 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-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate 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-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate?
The CAS number of 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate is 672281-29-7.
What is the molecular formula of 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate?
The molecular formula of 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate is C20H18Br2O5S.
What is the molecular weight of 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate?
The molecular weight of 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate is 527.92 g/mol.
Where can I buy 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate?
You can request a quote for 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate 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-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.