2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate
TL;DR: 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate (CAS 352329-86-3) is a chemical compound with molecular formula C16H17BrO4 and molecular weight 352.03 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] acetate
Also Known As: 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate, A2408/0102027, [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] acetate, 6-(4-bromophenyl)-3,5,5-trimethyl-2-oxo-5H-6-hydropyran-4-yl acetate, 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate #
| Molecular Formula | C16H17BrO4 |
|---|---|
| Molecular Weight | 352.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.031 |
| Heavy Atoms | 21 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 352329-86-3 |
|---|---|
| SMILES | CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C)OC(=O)C |
| InChIKey | ZLKYQUAPUXDCEQ-UHFFFAOYSA-N |
Product Overview
2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate (CAS 352329-86-3), with molecular formula C16H17BrO4 and molecular weight 352.03 g/mol. IUPAC: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] acetate.
Chemical Property Profile of 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate
Property Insights of 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate
The XLogP value of 3.6 indicates that 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate 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-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate 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 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate?
The CAS number of 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate is 352329-86-3.
What is the molecular formula of 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate?
The molecular formula of 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate is C16H17BrO4.
What is the molecular weight of 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate?
The molecular weight of 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate is 352.03 g/mol.
Where can I buy 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate?
You can request a quote for 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate 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 acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.