Quetiapine fumarate
TL;DR: Quetiapine fumarate (CAS 773058-82-5) is a chemical compound with molecular formula C25H29N3O6S and molecular weight 499.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid
Also Known As: Quetiapine fumarate, Seroquel, Quetiapine hemifumarate, Seroquel XR, Seroquel XL
| Molecular Formula | C25H29N3O6S |
|---|---|
| Molecular Weight | 499.18 g/mol |
| LogP | 2.5678 |
| Topological Polar Surface Area | 122.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.1777 |
| Heavy Atoms | 35 |
| Complexity | 1050.6726 |
Chemical Identifiers
| CAS Number | 773058-82-5 |
|---|---|
| SMILES | C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O |
Product Overview
Quetiapine fumarate (CAS 773058-82-5), with molecular formula C25H29N3O6S and molecular weight 499.18 g/mol. IUPAC: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid.
Chemical Property Profile of Quetiapine fumarate
Property Insights of Quetiapine fumarate
The XLogP value of 2.5678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quetiapine fumarate. The TPSA of 122.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Quetiapine fumarate. Following Lipinski's Rule of Five, Quetiapine fumarate has 3 hydrogen bond donor(s) and 8 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 Quetiapine fumarate?
The CAS number of Quetiapine fumarate is 773058-82-5.
What is the molecular formula of Quetiapine fumarate?
The molecular formula of Quetiapine fumarate is C25H29N3O6S.
What is the molecular weight of Quetiapine fumarate?
The molecular weight of Quetiapine fumarate is 499.18 g/mol.
Where can I buy Quetiapine fumarate?
You can request a quote for Quetiapine fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quetiapine fumarate?
Yes, KEHONG BIO provides custom synthesis services for Quetiapine fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.