![5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one structure](/static/products/899/89966-65-4.png)
5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one
TL;DR: 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one (CAS 89966-65-4) is a chemical compound with molecular formula C18H15N3O and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylideneamino)-6-methyl-3-phenylpyrimidin-4-one
Also Known As: 5-(benzylideneamino)-6-methyl-3-phenylpyrimidin-4-one, 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one
| Molecular Formula | C18H15N3O |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.12152 |
| Heavy Atoms | 22 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 89966-65-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(C=N1)C2=CC=CC=C2)N=CC3=CC=CC=C3 |
| InChIKey | YISDMDJELKQQAT-UHFFFAOYSA-N |
Product Overview
5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one (CAS 89966-65-4), with molecular formula C18H15N3O and molecular weight 289.12 g/mol. IUPAC: 5-(benzylideneamino)-6-methyl-3-phenylpyrimidin-4-one.
Chemical Property Profile of 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one
Property Insights of 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 45.0 Ų, 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 3 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 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one?
The CAS number of 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one is 89966-65-4.
What is the molecular formula of 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one?
The molecular formula of 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one is C18H15N3O.
What is the molecular weight of 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one?
The molecular weight of 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one is 289.12 g/mol.
Where can I buy 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one?
You can request a quote for 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(E)-Benzylideneamino]-6-methyl-3-phenylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.