7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
TL;DR: 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- (CAS 88338-88-9) is a chemical compound with molecular formula C11H13N5O2 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile
Also Known As: 7-Cyanopropyltheophylline, gamma-(theophylline-7-yl)-butyronitrile, 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile, 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 1,3-Dimethyl-1,2,3,6-tetrahydro-2,6-dioxo-7H-purine-7-butanenitrile
| Molecular Formula | C11H13N5O2 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.10692 |
| Heavy Atoms | 18 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 88338-88-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC#N |
| InChIKey | DJAXYTCEYBZGKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- (CAS 88338-88-9), with molecular formula C11H13N5O2 and molecular weight 247.11 g/mol. IUPAC: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanenitrile.
Chemical Property Profile of 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
Property Insights of 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
The XLogP value of -0.5 indicates that 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-. Following Lipinski's Rule of Five, 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- has 0 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 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-?
The CAS number of 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- is 88338-88-9.
What is the molecular formula of 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-?
The molecular formula of 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- is C11H13N5O2.
What is the molecular weight of 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-?
The molecular weight of 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- is 247.11 g/mol.
Where can I buy 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-?
You can request a quote for 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 7H-Purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.