![1,2-a][1,3,5]triazin-4(3H)-one structure](/static/products/3523/352317-79-4.webp)
1,2-a][1,3,5]triazin-4(3H)-one
TL;DR: 1,2-a][1,3,5]triazin-4(3H)-one (CAS 352317-79-4) is a chemical compound with molecular formula C9H4ClF6N3O and molecular weight 318.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2,2-bis(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one
Also Known As: 1,2-a][1,3,5]triazin-4(3H)-one, 7-Chloro-2,2-bis(trifluoromethyl)-2,3-dihydro-4H-pyrido[1,2-a][1,3,5]triazin-4-one, 7-chloro-2,2-bis(trifluoromethyl)-2,3-dihydropyrido[, 7-chloro-2,2-bis(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one, A2457/0104257
| Molecular Formula | C9H4ClF6N3O |
|---|---|
| Molecular Weight | 318.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.99472 |
| Heavy Atoms | 20 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 352317-79-4 |
|---|---|
| SMILES | C1=CC2=NC(NC(=O)N2C=C1Cl)(C(F)(F)F)C(F)(F)F |
| InChIKey | HYYRJSJFERPXDW-UHFFFAOYSA-N |
Product Overview
1,2-a][1,3,5]triazin-4(3H)-one (CAS 352317-79-4), with molecular formula C9H4ClF6N3O and molecular weight 318.99 g/mol. IUPAC: 7-chloro-2,2-bis(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 1,2-a][1,3,5]triazin-4(3H)-one
Property Insights of 1,2-a][1,3,5]triazin-4(3H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-a][1,3,5]triazin-4(3H)-one. With a topological polar surface area (TPSA) of 44.7 Ų, 1,2-a][1,3,5]triazin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-a][1,3,5]triazin-4(3H)-one has 1 hydrogen bond donor(s) and 8 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 1,2-a][1,3,5]triazin-4(3H)-one?
The CAS number of 1,2-a][1,3,5]triazin-4(3H)-one is 352317-79-4.
What is the molecular formula of 1,2-a][1,3,5]triazin-4(3H)-one?
The molecular formula of 1,2-a][1,3,5]triazin-4(3H)-one is C9H4ClF6N3O.
What is the molecular weight of 1,2-a][1,3,5]triazin-4(3H)-one?
The molecular weight of 1,2-a][1,3,5]triazin-4(3H)-one is 318.99 g/mol.
Where can I buy 1,2-a][1,3,5]triazin-4(3H)-one?
You can request a quote for 1,2-a][1,3,5]triazin-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 1,2-a][1,3,5]triazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2-a][1,3,5]triazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.