![2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone structure](/static/products/866/866145-70-2.png)
2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone
TL;DR: 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 866145-70-2) is a chemical compound with molecular formula C13H9F3N4O3 and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(1,3-benzodioxol-5-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone, 2-amino-3-(1,3-benzodioxol-5-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one, 2-amino-3-(benzo[1,3]dioxol-5-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one, 2-amino-3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
| Molecular Formula | C13H9F3N4O3 |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 1.4552 |
| Topological Polar Surface Area | 91.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.06268 |
| Heavy Atoms | 23 |
| Complexity | 845.334 |
Chemical Identifiers
| CAS Number | 866145-70-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NN3C(=O)C=C(N=C3N)C(F)(F)F |
Product Overview
2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 866145-70-2), with molecular formula C13H9F3N4O3 and molecular weight 326.06 g/mol. IUPAC: 2-amino-3-(1,3-benzodioxol-5-ylmethylideneamino)-6-(trifluoromethyl)pyrimidin-4-one.
Chemical Property Profile of 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone
Property Insights of 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone
The XLogP value of 1.4552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone. The TPSA of 91.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone. Following Lipinski's Rule of Five, 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone has 1 hydrogen bond donor(s) and 6 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)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The CAS number of 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone is 866145-70-2.
What is the molecular formula of 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular formula of 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone is C13H9F3N4O3.
What is the molecular weight of 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular weight of 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone is 326.06 g/mol.
Where can I buy 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone?
You can request a quote for 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]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)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.