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Ontazolast structure
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Ontazolast

TL;DR: Ontazolast (CAS 147432-77-7) is a chemical compound with molecular formula C21H25N3O and molecular weight 335.19977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[(1S)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine

Also Known As: Ontazolast, ontazolastum, Birm 270, Ontazolast [USAN:INN], BIRM270

CAS Number
147432-77-7
Molecular Formula
C21H25N3O
Molecular Weight
335.19977 g/mol
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Application Areas

Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (3 patents) Biotechnology (6 patents) Heterocyclic Building Blocks (684 patents) Organic Building Blocks (61 patents) Peptides & Amino Acids (12 patents)

Technical Specifications

Molecular FormulaC21H25N3O
Molecular Weight335.19977 g/mol
XLogP6.0
Topological Polar Surface Area (TPSA)51.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors4
Rotatable Bonds5
Exact Mass335.19977 Da
Heavy Atoms25
Complexity412.0
SMILESCC1=CC2=C(C=C1)OC(=N2)N[C@@H](CC3CCCCC3)C4=CC=CC=N4
InChIKeyRVXKHAITGKBBAC-SFHVURJKSA-N

Chemical Property Profile of Ontazolast

XLogP
6.0
TPSA (Topological Polar Surface Area)
51.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
25
Complexity
412.0
Exact Mass
335.19977
Monoisotopic Mass
335.19977
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 Ontazolast

The XLogP value of 6.0 indicates that Ontazolast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.0 Ų, Ontazolast exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ontazolast has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Ontazolast?

The CAS number of Ontazolast is 147432-77-7.

What is the molecular formula of Ontazolast?

The molecular formula of Ontazolast is C21H25N3O.

What is the molecular weight of Ontazolast?

The molecular weight of Ontazolast is 335.19977 g/mol.

Where can I buy Ontazolast?

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

Does CoreyChem offer custom synthesis for Ontazolast?

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

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