![(6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one structure](/static/products/899/899400-08-9.png)
(6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
TL;DR: (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one (CAS 899400-08-9) is a chemical compound with molecular formula C25H21ClFN3O3 and molecular weight 465.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-6-fluorophenyl)methoxy]phenol
Also Known As: (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one, 2-(2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl)-5-((2-chloro-6-fluorobenzyl)oxy)phenol, 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol, 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(6-chloro-2-fluoroph enyl)methoxy]phenol, 6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
| Molecular Formula | C25H21ClFN3O3 |
|---|---|
| Molecular Weight | 465.13 g/mol |
| LogP | 5.78692 |
| Topological Polar Surface Area | 90.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.12555 |
| Heavy Atoms | 33 |
| Complexity | 1293.0343 |
Chemical Identifiers
| CAS Number | 899400-08-9 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)N)C2=C(C=C(C=C2)OCC3=C(C=CC=C3Cl)F)O)C4=CC=C(C=C4)OC |
Product Overview
(6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one (CAS 899400-08-9), with molecular formula C25H21ClFN3O3 and molecular weight 465.13 g/mol. IUPAC: 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-6-fluorophenyl)methoxy]phenol.
Chemical Property Profile of (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
Property Insights of (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
The XLogP value of 5.78692 indicates that (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one has 2 hydrogen bond donor(s) and 6 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-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The CAS number of (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is 899400-08-9.
What is the molecular formula of (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The molecular formula of (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is C25H21ClFN3O3.
What is the molecular weight of (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The molecular weight of (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is 465.13 g/mol.
Where can I buy (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
You can request a quote for (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)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-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.