EINECS 235-781-9
TL;DR: EINECS 235-781-9 (CAS 12712-75-3) is a chemical compound with molecular formula C17H25N5O5 and molecular weight 379.18558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 4-(diethylamino)-4-oxobutanoate
Also Known As: 2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutyrate, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 4-(diethylamino)-4-oxobutanoate, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutanoate, 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl 3-(diethylcarbamoyl)propanoate, 4-Diethylamino-4-oxobutanoic acid 2-[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin)-7-yl]ethyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H25N5O5 |
| Molecular Weight | 379.18558 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 379.18558 Da |
| Heavy Atoms | 27 |
| Complexity | 594.0 |
| SMILES | CCN(CC)C(=O)CCC(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | KCFIDDRVZLDJEY-UHFFFAOYSA-N |
Chemical Property Profile of EINECS 235-781-9
Property Insights of EINECS 235-781-9
The XLogP value of -0.5 indicates that EINECS 235-781-9 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 235-781-9. Following Lipinski's Rule of Five, EINECS 235-781-9 has 0 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 EINECS 235-781-9?
The CAS number of EINECS 235-781-9 is 12712-75-3.
What is the molecular formula of EINECS 235-781-9?
The molecular formula of EINECS 235-781-9 is C17H25N5O5.
What is the molecular weight of EINECS 235-781-9?
The molecular weight of EINECS 235-781-9 is 379.18558 g/mol.
Where can I buy EINECS 235-781-9?
You can request a quote for EINECS 235-781-9 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 235-781-9?
Yes, CoreyChem provides custom synthesis services for EINECS 235-781-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.