RefChem:1097547
TL;DR: RefChem:1097547 (CAS 75319-57-2) is a chemical compound with molecular formula C10H6N8O5 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
Also Known As: 3-(2-(5-Nitrofurfurylidene)hydrazino)pyrimido(4,5-e)-as-triazine-6(5H),8(7H)-dione, Pyrimido(4,5-e)-as-triazine-6(5H),8(7H)-dione, 3-(2-(5-nitrofurfurylidene)hydrazino)-, (E)-3-(2-((5-nitrofuran-2-yl)methylene)hydrazinyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione, 3-[2-(5-Nitrofurfurylidene)hydrazino]pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 3-{(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl}pyrimido[4,5-e][1,2,4]triazine-6,8-diol
| Molecular Formula | C10H6N8O5 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | -0.6514 |
| Topological Polar Surface Area | 185.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0461 |
| Heavy Atoms | 23 |
| Complexity | 1031.3976 |
Chemical Identifiers
| CAS Number | 75319-57-2 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC2=NC3=C(C(=O)NC(=O)N3)N=N2 |
Product Overview
RefChem:1097547 (CAS 75319-57-2), with molecular formula C10H6N8O5 and molecular weight 318.05 g/mol. IUPAC: 3-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione.
Chemical Property Profile of RefChem:1097547
Property Insights of RefChem:1097547
The XLogP value of -0.6514 indicates that RefChem:1097547 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.06 Ų indicates high polarity, suggesting RefChem:1097547 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097547 has 3 hydrogen bond donor(s) and 10 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:1097547?
The CAS number of RefChem:1097547 is 75319-57-2.
What is the molecular formula of RefChem:1097547?
The molecular formula of RefChem:1097547 is C10H6N8O5.
What is the molecular weight of RefChem:1097547?
The molecular weight of RefChem:1097547 is 318.05 g/mol.
Where can I buy RefChem:1097547?
You can request a quote for RefChem:1097547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097547?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.