Quetiapine fumarate
TL;DR: Quetiapine fumarate (CAS 111974-72-2) is a chemical compound with molecular formula C16H23NO6 and molecular weight 325.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-O-tert-butyl 2-O-ethyl 3-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: Quetiapine fumarate, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol hemifumarate, 4-O-tert-butyl 2-O-ethyl 3-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate, 4-tert-butyl 2-ethyl 3-(2-methoxy-2-oxoethyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate, Tert-butyl Ethyl 3-(methoxycarbonylmethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Technical Specifications
| Molecular Formula | C16H23NO6 |
| Molecular Weight | 325.15253 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 325.15253 Da |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)(C)C)CC(=O)OC |
| InChIKey | UQTOZWSPTZXGDC-UHFFFAOYSA-N |
Chemical Property Profile of Quetiapine fumarate
Property Insights of Quetiapine fumarate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quetiapine fumarate. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Quetiapine fumarate. Following Lipinski's Rule of Five, Quetiapine fumarate has 1 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 Quetiapine fumarate?
The CAS number of Quetiapine fumarate is 111974-72-2.
What is the molecular formula of Quetiapine fumarate?
The molecular formula of Quetiapine fumarate is C16H23NO6.
What is the molecular weight of Quetiapine fumarate?
The molecular weight of Quetiapine fumarate is 325.15253 g/mol.
Where can I buy Quetiapine fumarate?
You can request a quote for Quetiapine fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Quetiapine fumarate?
Yes, CoreyChem provides custom synthesis services for Quetiapine fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.