5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione
TL;DR: 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione (CAS 16044-79-4) is a chemical compound with molecular formula C7H7N5O2 and molecular weight 193.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione
Also Known As: Isofervenulin, 5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione, BAS 05044508, 5,7-Dimethyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione, Pyrimido(4,5-e)-1,2,4-triazine-6,8(5H,7H)-dione, 5,7-dimethyl-
| Molecular Formula | C7H7N5O2 |
|---|---|
| Molecular Weight | 193.06 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.05997 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 16044-79-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N=NC=N2 |
| InChIKey | LGLSGALYZJZNIG-UHFFFAOYSA-N |
Product Overview
5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione (CAS 16044-79-4), with molecular formula C7H7N5O2 and molecular weight 193.06 g/mol. IUPAC: 5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione.
Chemical Property Profile of 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione
Property Insights of 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione
The XLogP value of -1.2 indicates that 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione. Following Lipinski's Rule of Five, 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione has 0 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 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione?
The CAS number of 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione is 16044-79-4.
What is the molecular formula of 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione?
The molecular formula of 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione is C7H7N5O2.
What is the molecular weight of 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione?
The molecular weight of 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione is 193.06 g/mol.
Where can I buy 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione?
You can request a quote for 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethylpyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.