RefChem:1074226
TL;DR: RefChem:1074226 (CAS 122113-43-3) is a chemical compound with molecular formula C19H22N4O9 and molecular weight 450.13867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);7-methyl-2-pyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Also Known As: 7-Methyl-2-pyrrolidino-5,7-dihydro-6H-pyrrolo(2,3-d)pyrimidin-6-one fumarate (1:2), 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(1-pyrrolidinyl)-, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 7-methyl-2-pyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Technical Specifications
| Molecular Formula | C19H22N4O9 |
| Molecular Weight | 450.13867 g/mol |
| XLogP | 0.0193 |
| Topological Polar Surface Area (TPSA) | 199.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.13867 Da |
| Heavy Atoms | 32 |
| Complexity | 409.0 |
| SMILES | CN1C2=NC(=NC=C2CC1=O)N3CCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | VAPQSVRAFUMPBU-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1074226
Property Insights of RefChem:1074226
The XLogP value of 0.0193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074226. The TPSA of 199.0 Ų indicates high polarity, suggesting RefChem:1074226 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1074226 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1074226?
The CAS number of RefChem:1074226 is 122113-43-3.
What is the molecular formula of RefChem:1074226?
The molecular formula of RefChem:1074226 is C19H22N4O9.
What is the molecular weight of RefChem:1074226?
The molecular weight of RefChem:1074226 is 450.13867 g/mol.
Where can I buy RefChem:1074226?
You can request a quote for RefChem:1074226 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1074226?
Yes, CoreyChem provides custom synthesis services for RefChem:1074226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.