![2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide structure](/static/products/497/497075-59-9.png)
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
TL;DR: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide (CAS 497075-59-9) is a chemical compound with molecular formula C16H15N7O5 and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Also Known As: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide, 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(3-nitrophenyl)methylideneamino]acetamide, (E)-2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N'-(3-nitrobenzylidene)acetohydrazide, N-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydro purin-7-yl))acetamide
| Molecular Formula | C16H15N7O5 |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | -0.5078 |
| Topological Polar Surface Area | 146.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.11346 |
| Heavy Atoms | 28 |
| Complexity | 1234.3895 |
Chemical Identifiers
| CAS Number | 497075-59-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide (CAS 497075-59-9), with molecular formula C16H15N7O5 and molecular weight 385.11 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.
Chemical Property Profile of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
Property Insights of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
The XLogP value of -0.5078 indicates that 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.42 Ų indicates high polarity, suggesting 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide has 1 hydrogen bond donor(s) and 7 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 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide?
The CAS number of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide is 497075-59-9.
What is the molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide?
The molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide is C16H15N7O5.
What is the molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide?
The molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide is 385.11 g/mol.
Where can I buy 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide?
You can request a quote for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.