1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl- (CAS 72898-64-7) is a chemical compound with molecular formula C13H13N5O2 and molecular weight 271.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-aminophenyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-Aminofenil)teofillina, Theophylline, 7-(o-aminophenyl)-, 7-(2-Aminofenil)teofillina [Italian], 5-26-14-00037 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl-
| Molecular Formula | C13H13N5O2 |
|---|---|
| Molecular Weight | 271.11 g/mol |
| LogP | 0.0051 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.10693 |
| Heavy Atoms | 20 |
| Complexity | 932.065 |
Chemical Identifiers
| CAS Number | 72898-64-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=CC=C3N |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl- (CAS 72898-64-7), with molecular formula C13H13N5O2 and molecular weight 271.11 g/mol. IUPAC: 7-(2-aminophenyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl-
The XLogP value of 0.0051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl-. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl- 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 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl- is 72898-64-7.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl- is C13H13N5O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl- is 271.11 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl- 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-7-(2-aminophenyl)-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-aminophenyl)-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.