1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl- (CAS 966-19-8) is a chemical compound with molecular formula C13H12ClN5O2 and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-aminophenyl)-8-chloro-1,3-dimethylpurine-2,6-dione
Also Known As: Theophylline, 7-(p-aminophenyl)-8-chloro-, 5-26-14-00137 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-, 3,7-Dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-1H-purine-2,6-dione, 7-(4-aminophenyl)-8-chloro-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C13H12ClN5O2 |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.06796 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 966-19-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)C3=CC=C(C=C3)N |
| InChIKey | NJHDGAHARFYEIK-UHFFFAOYSA-N |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl- (CAS 966-19-8), with molecular formula C13H12ClN5O2 and molecular weight 305.07 g/mol. IUPAC: 7-(4-aminophenyl)-8-chloro-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-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-(4-aminophenyl)-8-chloro-1,3-dimethyl-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl- is 966-19-8.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl- is C13H12ClN5O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl- is 305.07 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-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-(4-aminophenyl)-8-chloro-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.