![[1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate structure](/static/products/372/372091-33-3.png)
[1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate
TL;DR: [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate (CAS 372091-33-3) is a chemical compound with molecular formula C21H24N6O8 and molecular weight 488.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] acetate
Also Known As: [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate, [1-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] acetate, 1-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-3-(4-nitrophenoxy)propan-2-yl acetate
| Molecular Formula | C21H24N6O8 |
|---|---|
| Molecular Weight | 488.17 g/mol |
| LogP | 0.1788 |
| Topological Polar Surface Area | 163.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.16556 |
| Heavy Atoms | 35 |
| Complexity | 1353.1223 |
Chemical Identifiers
| CAS Number | 372091-33-3 |
|---|---|
| SMILES | CC(=O)OC(CN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C)COC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
[1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate (CAS 372091-33-3), with molecular formula C21H24N6O8 and molecular weight 488.17 g/mol. IUPAC: [1-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] acetate.
Chemical Property Profile of [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate
Property Insights of [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate
The XLogP value of 0.1788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate. The TPSA of 163.82 Ų indicates high polarity, suggesting [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate has 1 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 [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate?
The CAS number of [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate is 372091-33-3.
What is the molecular formula of [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate?
The molecular formula of [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate is C21H24N6O8.
What is the molecular weight of [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate?
The molecular weight of [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate is 488.17 g/mol.
Where can I buy [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate?
You can request a quote for [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate?
Yes, KEHONG BIO provides custom synthesis services for [1-(3-methyl-8-morpholin-4-yl-2,6-dioxo-purin-7-yl)-3-(4-nitrophenoxy)propan-2-yl] Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.