ChemDiv3_014332
TL;DR: ChemDiv3_014332 (CAS 774562-99-1) is a chemical compound with molecular formula C20H19N5O and molecular weight 345.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
Also Known As: ChemDiv3_014332, IDI1_030130, 8-methyl-2-[(4-methylphenyl)amino]-4-phenyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one, 8-methyl-2-(4-methylanilino)-4-phenyl-4,9-dihydropyrimido[1,2-a][1,3,5]triazin-6-one, 8-methyl-4-phenyl-2-(p-tolylamino)-1H-pyrimido[1,2-a][1,3,5]triazin-6(4H)-one
| Molecular Formula | C20H19N5O |
|---|---|
| Molecular Weight | 345.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.15897 |
| Heavy Atoms | 26 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 774562-99-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NC(N3C(=O)C=C(N=C3N2)C)C4=CC=CC=C4 |
| InChIKey | PDHSBMFWMDOHCI-UHFFFAOYSA-N |
Product Overview
ChemDiv3_014332 (CAS 774562-99-1), with molecular formula C20H19N5O and molecular weight 345.16 g/mol. IUPAC: 8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
Chemical Property Profile of ChemDiv3_014332
Property Insights of ChemDiv3_014332
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_014332. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014332. Following Lipinski's Rule of Five, ChemDiv3_014332 has 2 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 ChemDiv3_014332?
The CAS number of ChemDiv3_014332 is 774562-99-1.
What is the molecular formula of ChemDiv3_014332?
The molecular formula of ChemDiv3_014332 is C20H19N5O.
What is the molecular weight of ChemDiv3_014332?
The molecular weight of ChemDiv3_014332 is 345.16 g/mol.
Where can I buy ChemDiv3_014332?
You can request a quote for ChemDiv3_014332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014332?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.