1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl- (CAS 72898-69-2) is a chemical compound with molecular formula C13H11ClN4O2 and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione
Also Known As: Theophylline, 7-(o-chlorophenyl)-, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-, 5-26-13-00566 (Beilstein Handbook Reference), 7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione, 3,7-Dihydro-7-(2-chlorophenyl)-1,3-dimethyl-1H-purine-2,6-dione
| Molecular Formula | C13H11ClN4O2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 1.0763 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.05707 |
| Heavy Atoms | 20 |
| Complexity | 935.6746 |
Chemical Identifiers
| CAS Number | 72898-69-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=CC=C3Cl |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl- (CAS 72898-69-2), with molecular formula C13H11ClN4O2 and molecular weight 290.06 g/mol. IUPAC: 7-(2-chlorophenyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-
The XLogP value of 1.0763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl- has 0 hydrogen bond donor(s) and 3 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-chlorophenyl)-1,3-dimethyl-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl- is 72898-69-2.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl- is C13H11ClN4O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl- is 290.06 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-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-chlorophenyl)-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.