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Lurosetron structure
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Lurosetron

TL;DR: Lurosetron (CAS 128486-54-4) is a chemical compound with molecular formula C17H17FN4O and molecular weight 312.13864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

6-fluoro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one

Also Known As: lurosetronum, Lurosetron [INN:BAN], Lurosetron mesylate, LUROSETRON [INN], GR-87442N

CAS Number
128486-54-4
Molecular Formula
C17H17FN4O
Molecular Weight
312.13864 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (9 patents) Organic Building Blocks (2 patents) Pharmaceutical Intermediates (121 patents)

Technical Specifications

Molecular FormulaC17H17FN4O
Molecular Weight312.13864 g/mol
XLogP1.7
Topological Polar Surface Area (TPSA)53.9 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors3
Rotatable Bonds2
Exact Mass312.13864 Da
Heavy Atoms23
Complexity476.0
SMILESCC1=C(N=CN1)CN2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)F
InChIKeyNUMKWGDDRWJQMY-UHFFFAOYSA-N

Chemical Property Profile of Lurosetron

XLogP
1.7
TPSA (Topological Polar Surface Area)
53.9
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Rotatable Bonds
2
Heavy Atoms
23
Complexity
476.0
Exact Mass
312.13864
Monoisotopic Mass
312.13864
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 Lurosetron

The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lurosetron. With a topological polar surface area (TPSA) of 53.9 Ų, Lurosetron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lurosetron has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Lurosetron?

The CAS number of Lurosetron is 128486-54-4.

What is the molecular formula of Lurosetron?

The molecular formula of Lurosetron is C17H17FN4O.

What is the molecular weight of Lurosetron?

The molecular weight of Lurosetron is 312.13864 g/mol.

Where can I buy Lurosetron?

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

Does CoreyChem offer custom synthesis for Lurosetron?

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

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