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Litoxetine structure
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Litoxetine

TL;DR: Litoxetine (CAS 86811-09-8) is a chemical compound with molecular formula C16H19NO and molecular weight 241.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-(naphthalen-2-ylmethoxy)piperidine

Also Known As: Litoxetine, Litoxetina, Litoxetinum, Litoxetine [INN], 4-(2-Naphthylmethoxy)piperidine

CAS Number
86811-09-8
Molecular Formula
C16H19NO
Molecular Weight
241.14667 g/mol
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Application Areas

Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.

Analytical Reagents (2 patents) Biotechnology (2 patents) Heterocyclic Building Blocks (67 patents) Pharmaceutical Intermediates (452 patents)

Technical Specifications

Molecular FormulaC16H19NO
Molecular Weight241.14667 g/mol
XLogP2.9
Topological Polar Surface Area (TPSA)21.3 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors2
Rotatable Bonds3
Exact Mass241.14667 Da
Heavy Atoms18
Complexity249.0
SMILESC1CNCCC1OCC2=CC3=CC=CC=C3C=C2
InChIKeyMJJDYOLPMGIWND-UHFFFAOYSA-N

Chemical Property Profile of Litoxetine

XLogP
2.9
TPSA (Topological Polar Surface Area)
21.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
Rotatable Bonds
3
Heavy Atoms
18
Complexity
249.0
Exact Mass
241.14667
Monoisotopic Mass
241.14667
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Litoxetine

The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Litoxetine. With a topological polar surface area (TPSA) of 21.3 Ų, Litoxetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Litoxetine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Litoxetine?

The CAS number of Litoxetine is 86811-09-8.

What is the molecular formula of Litoxetine?

The molecular formula of Litoxetine is C16H19NO.

What is the molecular weight of Litoxetine?

The molecular weight of Litoxetine is 241.14667 g/mol.

Where can I buy Litoxetine?

You can request a quote for Litoxetine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Litoxetine?

Yes, CoreyChem provides custom synthesis services for Litoxetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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