2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide
TL;DR: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide (CAS 332117-40-5) is a chemical compound with molecular formula C16H17N5O3 and molecular weight 327.13 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-methylphenyl)acetamide
Also Known As: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide, 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-(p-tolyl)acetamide, 2-(1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL)-N-(4-METHYLPHENYL)ACETAMIDE
| Molecular Formula | C16H17N5O3 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.13315 |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 332117-40-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C |
| InChIKey | LQRXABHWYJBLIU-UHFFFAOYSA-N |
Product Overview
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide (CAS 332117-40-5), with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide.
Chemical Property Profile of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide
Property Insights of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide
The XLogP value of 0.9 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-methylphenyl)acetamide. The TPSA of 87.5 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-methylphenyl)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-methylphenyl)acetamide has 1 hydrogen bond donor(s) and 4 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-methylphenyl)acetamide?
The CAS number of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide is 332117-40-5.
What is the molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide?
The molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide is C16H17N5O3.
What is the molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide?
The molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide is 327.13 g/mol.
Where can I buy 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)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-methylphenyl)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-methylphenyl)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-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.