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Xinidamine structure
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Xinidamine

TL;DR: Xinidamine (CAS 50264-78-3) is a chemical compound with molecular formula C17H16N2O2 and molecular weight 280.1212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-[(2,4-dimethylphenyl)methyl]indazole-3-carboxylic acid

Also Known As: Xinidamine, Xinidaminum, Xinidamino, Xinidamine [INN], Xinidamina

CAS Number
50264-78-3
Molecular Formula
C17H16N2O2
Molecular Weight
280.1212 g/mol
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Application Areas

Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.

Pharmaceutical Intermediates (13 patents)

Technical Specifications

Molecular FormulaC17H16N2O2
Molecular Weight280.1212 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)55.1 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors3
Rotatable Bonds3
Exact Mass280.1212 Da
Heavy Atoms21
Complexity387.0
SMILESCC1=CC(=C(C=C1)CN2C3=CC=CC=C3C(=N2)C(=O)O)C
InChIKeyWHWIXTDKNBCRAS-UHFFFAOYSA-N

Chemical Property Profile of Xinidamine

XLogP
3.8
TPSA (Topological Polar Surface Area)
55.1
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
21
Complexity
387.0
Exact Mass
280.1212
Monoisotopic Mass
280.1212
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 Xinidamine

The XLogP value of 3.8 indicates that Xinidamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Xinidamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xinidamine 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 Xinidamine?

The CAS number of Xinidamine is 50264-78-3.

What is the molecular formula of Xinidamine?

The molecular formula of Xinidamine is C17H16N2O2.

What is the molecular weight of Xinidamine?

The molecular weight of Xinidamine is 280.1212 g/mol.

Where can I buy Xinidamine?

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

Does CoreyChem offer custom synthesis for Xinidamine?

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

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