1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)- (CAS 72898-60-3) 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-7-(2-nitrophenyl)purine-2,6-dione
Also Known As: 7-(2-Nitrofenil)teofillina, Theophylline, 7-(o-nitrophenyl)-, 7-(2-Nitrofenil)teofillina [Italian], 5-26-13-00566 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-
| Molecular Formula | C13H11N5O4 |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 0.3311 |
| Topological Polar Surface Area | 104.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.08112 |
| Heavy Atoms | 22 |
| Complexity | 1027.067 |
Chemical Identifiers
| CAS Number | 72898-60-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)- (CAS 72898-60-3), with molecular formula C13H11N5O4 and molecular weight 301.08 g/mol. IUPAC: 1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-
The XLogP value of 0.3311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-. The TPSA of 104.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)- has 0 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 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)- is 72898-60-3.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)- is C13H11N5O4.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)- is 301.08 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.