乙氧苯黄嘌呤
TL;DR: 乙氧苯黄嘌呤 (CAS 519-37-9) is a chemical compound with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙氧苯黄嘌呤
7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: Aethophyllinum, Frekaphyllin, Soluphylline, Cordalin, Phyllocormin N
| Molecular Formula | C9H12N4O3 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.09094 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
| Solubility | >33.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 519-37-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO |
| InChIKey | NWPRCRWQMGIBOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙氧苯黄嘌呤 (CAS 519-37-9), with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol. IUPAC: 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 乙氧苯黄嘌呤
Property Insights of 乙氧苯黄嘌呤
The XLogP value of -1.2 indicates that 乙氧苯黄嘌呤 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙氧苯黄嘌呤. Following Lipinski's Rule of Five, 乙氧苯黄嘌呤 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 乙氧苯黄嘌呤?
The CAS number of 乙氧苯黄嘌呤 is 519-37-9.
What is the molecular formula of 乙氧苯黄嘌呤?
The molecular formula of 乙氧苯黄嘌呤 is C9H12N4O3.
What is the molecular weight of 乙氧苯黄嘌呤?
The molecular weight of 乙氧苯黄嘌呤 is 224.09 g/mol.
Where can I buy 乙氧苯黄嘌呤?
You can request a quote for 乙氧苯黄嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙氧苯黄嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 乙氧苯黄嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.