![2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone structure](/static/products/866/866149-03-3.png)
2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone
TL;DR: 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 866149-03-3) is a chemical compound with molecular formula C15H10ClF3N4O2 and molecular weight 370.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone, 2-amino-3-[(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one, 2-amino-3-({[5-chloro-2-(prop-2-yn-1-yloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)pyrimidin-4-one, 2-amino-3-[(5-chloro-2-prop-2-ynoxy-phenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
| Molecular Formula | C15H10ClF3N4O2 |
|---|---|
| Molecular Weight | 370.04 g/mol |
| LogP | 2.3919 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.04443 |
| Heavy Atoms | 25 |
| Complexity | 916.4583 |
Chemical Identifiers
| CAS Number | 866149-03-3 |
|---|---|
| SMILES | C#CCOC1=C(C=C(C=C1)Cl)C=NN2C(=O)C=C(N=C2N)C(F)(F)F |
Product Overview
2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 866149-03-3), with molecular formula C15H10ClF3N4O2 and molecular weight 370.04 g/mol. IUPAC: 2-amino-3-[(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one.
Chemical Property Profile of 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone
Property Insights of 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone
The XLogP value of 2.3919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone. Following Lipinski's Rule of Five, 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The CAS number of 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone is 866149-03-3.
What is the molecular formula of 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular formula of 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone is C15H10ClF3N4O2.
What is the molecular weight of 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular weight of 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone is 370.04 g/mol.
Where can I buy 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone?
You can request a quote for 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-3-({(E)-[5-chloro-2-(2-propynyloxy)phenyl]methylidene}amino)-6-(trifluoromethyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.