1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione
TL;DR: 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione (CAS 78146-60-8) is a chemical compound with molecular formula C13H11N5O4 and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(2-nitrophenyl)-7H-purine-2,6-dione
Also Known As: 1,3-dimethyl-8-(2-nitrophenyl)-7H-purine-2,6-dione, 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione, 3,3-DIMETHYL-8-(2-NITROPHENYL)-1H-PURINE-2,6-DIONE, 1,3-Dimethyl-8-(2-nitrophenyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H11N5O4 |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.08112 |
| Heavy Atoms | 22 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 78146-60-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | KNYQVLUUOXITIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione (CAS 78146-60-8), with molecular formula C13H11N5O4 and molecular weight 301.08 g/mol. IUPAC: 1,3-dimethyl-8-(2-nitrophenyl)-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione
Property Insights of 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione has 1 hydrogen bond donor(s) and 5 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-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione?
The CAS number of 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione is 78146-60-8.
What is the molecular formula of 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione?
The molecular formula of 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione is C13H11N5O4.
What is the molecular weight of 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione?
The molecular weight of 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione is 301.08 g/mol.
Where can I buy 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione?
You can request a quote for 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.