![(6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one structure](/static/products/899/899393-91-0.png)
(6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one
TL;DR: (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one (CAS 899393-91-0) is a chemical compound with molecular formula C24H16Cl2F3N3O2 and molecular weight 505.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
Also Known As: (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one, 2-(2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)-5-((3-chlorobenzyl)oxy)phenol, 2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(3-chlorobenzyl)oxy]phenol, 2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(3-chlorop henyl)methoxy]phenol, 6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one
| Molecular Formula | C24H16Cl2F3N3O2 |
|---|---|
| Molecular Weight | 505.06 g/mol |
| LogP | 7.003 |
| Topological Polar Surface Area | 81.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.05716 |
| Heavy Atoms | 34 |
| Complexity | 1346.6122 |
Chemical Identifiers
| CAS Number | 899393-91-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)COC2=CC(=C(C=C2)C3=C(C(=NC(=N3)N)C(F)(F)F)C4=CC=C(C=C4)Cl)O |
Product Overview
(6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one (CAS 899393-91-0), with molecular formula C24H16Cl2F3N3O2 and molecular weight 505.06 g/mol. IUPAC: 2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol.
Chemical Property Profile of (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one
Property Insights of (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one
The XLogP value of 7.003 indicates that (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one has 2 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 (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The CAS number of (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one is 899393-91-0.
What is the molecular formula of (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The molecular formula of (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one is C24H16Cl2F3N3O2.
What is the molecular weight of (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The molecular weight of (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one is 505.06 g/mol.
Where can I buy (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
You can request a quote for (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(3-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.