2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide
TL;DR: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide (CAS 349114-35-8) is a chemical compound with molecular formula C16H16N6O5 and molecular weight 372.12 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-(4-methyl-2-nitrophenyl)acetamide
Also Known As: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide, 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-methyl-2-nitro-phenyl)acetamide, 2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-(4-methyl-2-nitrophenyl )acetamide
| Molecular Formula | C16H16N6O5 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 0.28902 |
| Topological Polar Surface Area | 134.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.11823 |
| Heavy Atoms | 27 |
| Complexity | 1202.4568 |
Chemical Identifiers
| CAS Number | 349114-35-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)[N+](=O)[O-] |
Product Overview
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide (CAS 349114-35-8), with molecular formula C16H16N6O5 and molecular weight 372.12 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide.
Chemical Property Profile of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide
Property Insights of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide
The XLogP value of 0.28902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide. The TPSA of 134.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 6 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-(4-methyl-2-nitrophenyl)acetamide?
The CAS number of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide is 349114-35-8.
What is the molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
The molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide is C16H16N6O5.
What is the molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
The molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide is 372.12 g/mol.
Where can I buy 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
You can request a quote for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-2-nitrophenyl)acetamide 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-(4-methyl-2-nitrophenyl)acetamide?
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-(4-methyl-2-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.