7-(p-Aminophenyl)theophylline
TL;DR: 7-(p-Aminophenyl)theophylline (CAS 963-48-4) 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-(4-aminophenyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(p-Aminofenil)teofillina, Theophylline, 7-(p-aminophenyl)-, 7-(P-AMINOPHENYL)THEOPHYLLINE, 7-(p-Aminofenil)teofillina [Italian], 3,7-Dihydro-7-(4-aminophenyl)-1,3-dimethyl-1H-purine-2,6-dione
| Molecular Formula | C13H13N5O2 |
|---|---|
| Molecular Weight | 271.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.10693 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 963-48-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=C(C=C3)N |
| InChIKey | UZGPMRNAUABIIA-UHFFFAOYSA-N |
Product Overview
7-(p-Aminophenyl)theophylline (CAS 963-48-4), with molecular formula C13H13N5O2 and molecular weight 271.11 g/mol. IUPAC: 7-(4-aminophenyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(p-Aminophenyl)theophylline
Property Insights of 7-(p-Aminophenyl)theophylline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(p-Aminophenyl)theophylline. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(p-Aminophenyl)theophylline. Following Lipinski's Rule of Five, 7-(p-Aminophenyl)theophylline 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 7-(p-Aminophenyl)theophylline?
The CAS number of 7-(p-Aminophenyl)theophylline is 963-48-4.
What is the molecular formula of 7-(p-Aminophenyl)theophylline?
The molecular formula of 7-(p-Aminophenyl)theophylline is C13H13N5O2.
What is the molecular weight of 7-(p-Aminophenyl)theophylline?
The molecular weight of 7-(p-Aminophenyl)theophylline is 271.11 g/mol.
Where can I buy 7-(p-Aminophenyl)theophylline?
You can request a quote for 7-(p-Aminophenyl)theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(p-Aminophenyl)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(p-Aminophenyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.