CAS 22161-81-5 | (S)-2-(3-Benzoylphenyl)propanoic acid | CAS Number 22161-81-5

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 22161-81-5

22161-81-5 | (S)-2-(3-Benzoylphenyl)propanoic acid

CAS No: 22161-81-5 Catalog No: AG003CKB MDL No:MFCD00673316

Product Description

Catalog Number:

AG003CKB

Chemical Name:

(S)-2-(3-Benzoylphenyl)propanoic acid

CAS Number:

22161-81-5

Molecular Formula:

C16H14O3

Molecular Weight:

254.2806

MDL Number:

MFCD00673316

IUPAC Name:

(2S)-2-(3-benzoylphenyl)propanoic acid

InChI:

InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1

InChI Key:

DKYWVDODHFEZIM-NSHDSACASA-N

SMILES:

OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C

EC Number:

606-944-5

UNII:

6KD9E78X68

Properties

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.285g/mol

Monoisotopic Mass:

254.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Structure-activity relationships and cancer-cell selective toxicity of novel inhibitors of glioma-associated oncogene homologue 1 (Gli1) mediated transcription.	Journal of medicinal chemistry 20090723
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.	Journal of medicinal chemistry 20050630