Phthalidyltheophylline
TL;DR: Phthalidyltheophylline (CAS 107745-64-2) is a chemical compound with molecular formula C15H12N4O4 and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(3-oxo-1H-2-benzofuran-1-yl)purine-2,6-dione
Also Known As: Phthalidyltheophylline, Phthalidyl theophylline, 1,3-dimethyl-7-(3-oxo-1H-2-benzofuran-1-yl)purine-2,6-dione, 7-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, 3-methyl-1-[(3-oxo-1H-2-benzofuran-1-yl)methyl]-7H-purine-2,6-dione
| Molecular Formula | C15H12N4O4 |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.08585 |
| Heavy Atoms | 23 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 107745-64-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3C4=CC=CC=C4C(=O)O3 |
| InChIKey | GVEJSNXAWZPMNK-UHFFFAOYSA-N |
Product Overview
Phthalidyltheophylline (CAS 107745-64-2), with molecular formula C15H12N4O4 and molecular weight 312.09 g/mol. IUPAC: 1,3-dimethyl-7-(3-oxo-1H-2-benzofuran-1-yl)purine-2,6-dione.
Chemical Property Profile of Phthalidyltheophylline
Property Insights of Phthalidyltheophylline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalidyltheophylline. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalidyltheophylline. Following Lipinski's Rule of Five, Phthalidyltheophylline 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 Phthalidyltheophylline?
The CAS number of Phthalidyltheophylline is 107745-64-2.
What is the molecular formula of Phthalidyltheophylline?
The molecular formula of Phthalidyltheophylline is C15H12N4O4.
What is the molecular weight of Phthalidyltheophylline?
The molecular weight of Phthalidyltheophylline is 312.09 g/mol.
Where can I buy Phthalidyltheophylline?
You can request a quote for Phthalidyltheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalidyltheophylline?
Yes, KEHONG BIO provides custom synthesis services for Phthalidyltheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.