![[2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate structure](/static/products/3812/381207-08-5.webp)
[2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate
TL;DR: [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate (CAS 381207-08-5) is a chemical compound with molecular formula C21H18BrClO4 and molecular weight 448.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate
Also Known As: [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate, 2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate
| Molecular Formula | C21H18BrClO4 |
|---|---|
| Molecular Weight | 448.01 g/mol |
| LogP | 5.8576 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.0077 |
| Heavy Atoms | 27 |
| Complexity | 914.2027 |
Chemical Identifiers
| CAS Number | 381207-08-5 |
|---|---|
| SMILES | CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Cl)(C)C)OC(=O)C3=CC=C(C=C3)Br |
Product Overview
[2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate (CAS 381207-08-5), with molecular formula C21H18BrClO4 and molecular weight 448.01 g/mol. IUPAC: [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate.
Chemical Property Profile of [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate
Property Insights of [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate
The XLogP value of 5.8576 indicates that [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate has 0 hydrogen bond donor(s) and 4 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-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate?
The CAS number of [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate is 381207-08-5.
What is the molecular formula of [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate?
The molecular formula of [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate is C21H18BrClO4.
What is the molecular weight of [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate?
The molecular weight of [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate is 448.01 g/mol.
Where can I buy [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate?
You can request a quote for [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.