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2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) structure
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2-(3-Benzoylphenyl)propanoic acid--lysine (1/1)

TL;DR: 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) (CAS 57469-78-0) is a chemical compound with molecular formula C22H28N2O5 and molecular weight 400.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(3-benzoylphenyl)propanoic acid;(2R)-2,6-diaminohexanoic acid

Also Known As: Lysyl-ketoprofen, Ketoprofen lysine, Ketoprofen lysinate, Ketoprofen lysine salt, D-LYSINE; KETOPROFEN

CAS Number
57469-78-0
Molecular Formula
C22H28N2O5
Molecular Weight
400.19983 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 (3 patents) Organic Building Blocks (8 patents) Pharmaceutical Intermediates (2 patents)

Technical Specifications

Molecular FormulaC22H28N2O5
Molecular Weight400.19983 g/mol
XLogP2.63
Topological Polar Surface Area (TPSA)144.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors7
Rotatable Bonds9
Exact Mass400.19983 Da
Heavy Atoms29
Complexity437.0
SMILESCC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(CCN)C[C@H](C(=O)O)N
InChIKeyVHIORVCHBUEWEP-QDXATWJZSA-N

Chemical Property Profile of 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1)

XLogP
2.63
TPSA (Topological Polar Surface Area)
144.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
Rotatable Bonds
9
Heavy Atoms
29
Complexity
437.0
Exact Mass
400.19983
Monoisotopic Mass
400.19983
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 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1)

The XLogP value of 2.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1). The TPSA of 144.0 Ų indicates high polarity, suggesting 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1)?

The CAS number of 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) is 57469-78-0.

What is the molecular formula of 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1)?

The molecular formula of 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) is C22H28N2O5.

What is the molecular weight of 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1)?

The molecular weight of 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) is 400.19983 g/mol.

Where can I buy 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1)?

You can request a quote for 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1)?

Yes, CoreyChem provides custom synthesis services for 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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