![(6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one structure](/static/products/850/850243-05-9.png)
(6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
TL;DR: (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one (CAS 850243-05-9) is a chemical compound with molecular formula C26H23ClFN3O4 and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol
Also Known As: (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one, 2-(2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl)-5-((2-chloro-4-fluorobenzyl)oxy)phenol, 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-4-fluo rophenyl)methoxy]phenol, 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-4-fluorobenzyl)oxy]phenol, 6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
| Molecular Formula | C26H23ClFN3O4 |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 5.79552 |
| Topological Polar Surface Area | 99.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.1361 |
| Heavy Atoms | 35 |
| Complexity | 1397.6235 |
Chemical Identifiers
| CAS Number | 850243-05-9 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)N)C2=C(C=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)O)C4=CC(=C(C=C4)OC)OC |
Product Overview
(6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one (CAS 850243-05-9), with molecular formula C26H23ClFN3O4 and molecular weight 495.14 g/mol. IUPAC: 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol.
Chemical Property Profile of (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
Property Insights of (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
The XLogP value of 5.79552 indicates that (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one has 2 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The CAS number of (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is 850243-05-9.
What is the molecular formula of (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The molecular formula of (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is C26H23ClFN3O4.
What is the molecular weight of (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The molecular weight of (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is 495.14 g/mol.
Where can I buy (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
You can request a quote for (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-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-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(2-chloro-4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.