RefChem:1063206
TL;DR: RefChem:1063206 (CAS 113458-65-4) is a chemical compound with molecular formula C18H16N8O6 and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethyl-4a-[4-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]phenyl]-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Also Known As: 2-Furancarboxaldehyde, 5-nitro-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2H)-yl)phenyl)hydrazone, RefChem:1063206, BRN 5679988
| Molecular Formula | C18H16N8O6 |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 0.9792 |
| Topological Polar Surface Area | 174.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1193 |
| Heavy Atoms | 32 |
| Complexity | 1186.3318 |
Chemical Identifiers
| CAS Number | 113458-65-4 |
|---|---|
| SMILES | CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CC=C(C=C3)N/N=C/C4=CC=C(O4)[N+](=O)[O-] |
Product Overview
RefChem:1063206 (CAS 113458-65-4), with molecular formula C18H16N8O6 and molecular weight 440.12 g/mol. IUPAC: 6,8-dimethyl-4a-[4-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]phenyl]-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione.
Chemical Property Profile of RefChem:1063206
Property Insights of RefChem:1063206
The XLogP value of 0.9792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1063206. The TPSA of 174.78 Ų indicates high polarity, suggesting RefChem:1063206 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1063206 has 3 hydrogen bond donor(s) and 9 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:1063206?
The CAS number of RefChem:1063206 is 113458-65-4.
What is the molecular formula of RefChem:1063206?
The molecular formula of RefChem:1063206 is C18H16N8O6.
What is the molecular weight of RefChem:1063206?
The molecular weight of RefChem:1063206 is 440.12 g/mol.
Where can I buy RefChem:1063206?
You can request a quote for RefChem:1063206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063206?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.