![[7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate structure](/static/products/370/370871-74-2.png)
[7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate
TL;DR: [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate (CAS 370871-74-2) is a chemical compound with molecular formula C21H17N5O7 and molecular weight 451.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxopurin-8-yl] benzoate
Also Known As: [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate, [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxopurin-8-yl] benzoate, 7-(2-hydroxy-2-(4-nitrophenyl)ethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl benzoate, 7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl benzoate
| Molecular Formula | C21H17N5O7 |
|---|---|
| Molecular Weight | 451.11 g/mol |
| LogP | 1.2843 |
| Topological Polar Surface Area | 162.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.1128 |
| Heavy Atoms | 33 |
| Complexity | 1469.4086 |
Chemical Identifiers
| CAS Number | 370871-74-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CC(C4=CC=C(C=C4)[N+](=O)[O-])O |
Product Overview
[7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate (CAS 370871-74-2), with molecular formula C21H17N5O7 and molecular weight 451.11 g/mol. IUPAC: [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxopurin-8-yl] benzoate.
Chemical Property Profile of [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate
Property Insights of [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate
The XLogP value of 1.2843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate. The TPSA of 162.35 Ų indicates high polarity, suggesting [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate has 2 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 [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate?
The CAS number of [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate is 370871-74-2.
What is the molecular formula of [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate?
The molecular formula of [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate is C21H17N5O7.
What is the molecular weight of [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate?
The molecular weight of [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate is 451.11 g/mol.
Where can I buy [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate?
You can request a quote for [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate?
Yes, KEHONG BIO provides custom synthesis services for [7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl] Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.