RefChem:349693
TL;DR: RefChem:349693 (CAS 80761-64-4) is a chemical compound with molecular formula C11H12N8O5 and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(6,8-dioxopyrimido[4,5-e][1,2,4]triazin-2-yl)pyridine-4-carbohydrazide;dihydrate
Also Known As: Isonicotinic acid, 2-(6,8-dioxo-5,6,7,8-tetrahydropyrimido(4,5-e)-as-triazin-3-yl)hydrazide, dihydrate, Pyrimido(4,5-e)-as-triazine-6(5H),8(7H)-dione, 3-isonicotinoylhydrazino-, dihydrate, N'-(6,8-dioxopyrimido[4,5-e][1,2,4]triazin-2-yl)pyridine-4-carbohydrazide dihydrate, ISONICOTINIC ACID, 2-(6,8-DIOXO-5,6,7,8-TETRAHYDROPYRIMIDO(4,5-e)-as-TRIAZIN-3-Y, N'-(6,8-Dioxo-7,8-dihydropyrimido[4,5-e][1,2,4]triazin-2(6H)-yl)pyridine-4-carbohydrazide--water (1/2)
| Molecular Formula | C11H12N8O5 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | -3.54 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.09308 |
| Heavy Atoms | 24 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 80761-64-4 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)NNN2C=NC3=NC(=O)NC(=O)C3=N2.O.O |
| InChIKey | ZDBADGCAUVMTNB-UHFFFAOYSA-N |
Product Overview
RefChem:349693 (CAS 80761-64-4), with molecular formula C11H12N8O5 and molecular weight 336.09 g/mol. IUPAC: N'-(6,8-dioxopyrimido[4,5-e][1,2,4]triazin-2-yl)pyridine-4-carbohydrazide;dihydrate.
Chemical Property Profile of RefChem:349693
Property Insights of RefChem:349693
The XLogP value of -3.54 indicates that RefChem:349693 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting RefChem:349693 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:349693 has 5 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 RefChem:349693?
The CAS number of RefChem:349693 is 80761-64-4.
What is the molecular formula of RefChem:349693?
The molecular formula of RefChem:349693 is C11H12N8O5.
What is the molecular weight of RefChem:349693?
The molecular weight of RefChem:349693 is 336.09 g/mol.
Where can I buy RefChem:349693?
You can request a quote for RefChem:349693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349693?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.