Xanthine amine congener
TL;DR: Xanthine amine congener (CAS 96865-92-8) is a chemical compound with molecular formula C21H28N6O4 and molecular weight 428.2172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
Also Known As: Xanthine amine congener, Papaxac, Xanthine amine congener xac, Lopac-X-103, Xanthine amine congener?
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H28N6O4 |
| Molecular Weight | 428.2172 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 428.2172 Da |
| Heavy Atoms | 31 |
| Complexity | 639.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN |
| InChIKey | FIQGIOAELHTLHM-UHFFFAOYSA-N |
Product Description
Applications: Xanthine amine congener is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Xanthine amine congener is a pharmaceutical intermediate identified by CAS number 96865-92-8 and the molecular formula C21H28N6O4 and a molecular weight of 428.22 g/mol. Synonyms include Xanthine amine congener and Papaxac.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Xanthine amine congener
Property Insights of Xanthine amine congener
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthine amine congener. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthine amine congener. Following Lipinski's Rule of Five, Xanthine amine congener has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Xanthine amine congener?
The CAS number of Xanthine amine congener is 96865-92-8.
What is the molecular formula of Xanthine amine congener?
The molecular formula of Xanthine amine congener is C21H28N6O4.
What is the molecular weight of Xanthine amine congener?
The molecular weight of Xanthine amine congener is 428.2172 g/mol.
What are the applications of Xanthine amine congener?
Xanthine amine congener is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Xanthine amine congener?
You can request a quote for Xanthine amine congener directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xanthine amine congener?
Yes, CoreyChem provides custom synthesis services for Xanthine amine congener and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.