RefChem:1073246
TL;DR: RefChem:1073246 (CAS 122113-46-6) is a chemical compound with molecular formula C20H30N4O7 and molecular weight 438.21146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;ethyl 2-[4-(diethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetate
Also Known As: 5-Pyrimidineacetic acid, 4-(diethylamino)-2-(4-morpholinyl)-, ethyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; ethyl 2-[4-(diethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetate, But-2-enedioic Acid; Ethyl 2-(4-diethylamino-2-morpholin-4-yl-pyrimidin-5-yl)acetate
Technical Specifications
| Molecular Formula | C20H30N4O7 |
| Molecular Weight | 438.21146 g/mol |
| XLogP | 0.9768 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 438.21146 Da |
| Heavy Atoms | 31 |
| Complexity | 478.0 |
| SMILES | CCN(CC)C1=NC(=NC=C1CC(=O)OCC)N2CCOCC2.C(=C/C(=O)O)\C(=O)O |
| InChIKey | CNGCPQRHROHMKD-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1073246
Property Insights of RefChem:1073246
The XLogP value of 0.9768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073246. The TPSA of 142.0 Ų indicates high polarity, suggesting RefChem:1073246 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073246 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1073246?
The CAS number of RefChem:1073246 is 122113-46-6.
What is the molecular formula of RefChem:1073246?
The molecular formula of RefChem:1073246 is C20H30N4O7.
What is the molecular weight of RefChem:1073246?
The molecular weight of RefChem:1073246 is 438.21146 g/mol.
Where can I buy RefChem:1073246?
You can request a quote for RefChem:1073246 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1073246?
Yes, CoreyChem provides custom synthesis services for RefChem:1073246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.