A2120/0088990
TL;DR: A2120/0088990 (CAS 336880-02-5) is a chemical compound with molecular formula C20H15Br2FN2O4 and molecular weight 523.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: A2120/0088990, 5-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-[[3,5-Dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-{3,5-dibromo-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-((3,5-Dibromo-4-((4-fluorophenyl)methoxy)phenyl)methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C20H15Br2FN2O4 |
|---|---|
| Molecular Weight | 523.94 g/mol |
| LogP | 4.3635 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 523.93823 |
| Heavy Atoms | 29 |
| Complexity | 988.27185 |
Chemical Identifiers
| CAS Number | 336880-02-5 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)F)Br)C(=O)N(C1=O)C |
Product Overview
A2120/0088990 (CAS 336880-02-5), with molecular formula C20H15Br2FN2O4 and molecular weight 523.94 g/mol. IUPAC: 5-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of A2120/0088990
Property Insights of A2120/0088990
The XLogP value of 4.3635 indicates that A2120/0088990 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for A2120/0088990. Following Lipinski's Rule of Five, A2120/0088990 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 A2120/0088990?
The CAS number of A2120/0088990 is 336880-02-5.
What is the molecular formula of A2120/0088990?
The molecular formula of A2120/0088990 is C20H15Br2FN2O4.
What is the molecular weight of A2120/0088990?
The molecular weight of A2120/0088990 is 523.94 g/mol.
Where can I buy A2120/0088990?
You can request a quote for A2120/0088990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2120/0088990?
Yes, KEHONG BIO provides custom synthesis services for A2120/0088990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.