![3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione structure](/static/products/3693/369394-79-6.webp)
3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione
TL;DR: 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione (CAS 369394-79-6) is a chemical compound with molecular formula C21H20BrClO3 and molecular weight 434.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione
Also Known As: 3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione, A2773/0117437, 3-(4-bromobenzyl)-6-(4-chlorophenyl)-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione, 3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyl-3H-5,6-dihydropyr an-2,4-dione
| Molecular Formula | C21H20BrClO3 |
|---|---|
| Molecular Weight | 434.03 g/mol |
| LogP | 5.5447 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.02844 |
| Heavy Atoms | 26 |
| Complexity | 842.5648 |
Chemical Identifiers
| CAS Number | 369394-79-6 |
|---|---|
| SMILES | CC1(C(OC(=O)C(C1=O)(C)CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl)C |
Product Overview
3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione (CAS 369394-79-6), with molecular formula C21H20BrClO3 and molecular weight 434.03 g/mol. IUPAC: 3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione.
Chemical Property Profile of 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione
Property Insights of 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione
The XLogP value of 5.5447 indicates that 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione?
The CAS number of 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione is 369394-79-6.
What is the molecular formula of 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione?
The molecular formula of 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione is C21H20BrClO3.
What is the molecular weight of 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione?
The molecular weight of 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione is 434.03 g/mol.
Where can I buy 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione?
You can request a quote for 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.