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N-Hydroxy Riluzole structure
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N-Hydroxy Riluzole

TL;DR: N-Hydroxy Riluzole (CAS 1189887-96-4) is a chemical compound with molecular formula C8H5F3N2O2S and molecular weight 250.00238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]hydroxylamine

Also Known As: N-Hydroxy Riluzole, N-Hydroxyriluzole, NHydroxyriluzole, Riluzole Impurity 6, N-Hydroxy metabolite of riluzole

CAS Number
1189887-96-4
Molecular Formula
C8H5F3N2O2S
Molecular Weight
250.00238 g/mol
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Technical Specifications

Molecular FormulaC8H5F3N2O2S
Molecular Weight250.00238 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)82.6 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors8
Rotatable Bonds2
Exact Mass250.00238 Da
Heavy Atoms16
Complexity254.0
SMILESC1=CC2=C(C=C1OC(F)(F)F)SC(=N2)NO
InChIKeyMFGRTKLVQQZZIE-UHFFFAOYSA-N

Chemical Property Profile of N-Hydroxy Riluzole

XLogP
3.8
TPSA (Topological Polar Surface Area)
82.6
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
8
Rotatable Bonds
2
Heavy Atoms
16
Complexity
254.0
Exact Mass
250.00238
Monoisotopic Mass
250.00238
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 N-Hydroxy Riluzole

The XLogP value of 3.8 indicates that N-Hydroxy Riluzole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Hydroxy Riluzole. Following Lipinski's Rule of Five, N-Hydroxy Riluzole has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-Hydroxy Riluzole?

The CAS number of N-Hydroxy Riluzole is 1189887-96-4.

What is the molecular formula of N-Hydroxy Riluzole?

The molecular formula of N-Hydroxy Riluzole is C8H5F3N2O2S.

What is the molecular weight of N-Hydroxy Riluzole?

The molecular weight of N-Hydroxy Riluzole is 250.00238 g/mol.

Where can I buy N-Hydroxy Riluzole?

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

Does CoreyChem offer custom synthesis for N-Hydroxy Riluzole?

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

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