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BPH-651

CAT: 0013-GTR19200532-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200532-01Size:25 mg
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Description
BPH-651 is a small molecule inhibitor of CrtM (dehydrosqualene synthase), a key enzyme in bacterial staphyloxanthin biosynthesis. It is a useful research tool for studying Staphylococcus aureus pathogenesis and has been applied in both in vitro enzymatic assays and in vivo infection models to investigate virulence factor inhibition.
CAS Number
149537-49-5
Field of Research
Infectious Disease & Virology
Smiles
OC1 (C2 (CCN (C1) CC2) [H]) C3=CC=C (C=C3) C4=CC=CC=C4
Molecular Formula
C19H21NO
Molecular Weight
279.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(Biphenyl-4-yl)-3-hydroxyquinuclidine

structure given in first source

CAS Number149537-49-5
PubChem CID9817140
IUPAC Name3-(4-phenylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
Molecular FormulaC19H21NO
Molecular Weight279.4
XLogP3.1
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity349
SMILES
C1CN2CCC1C(C2)(C3=CC=C(C=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2
InChIKey
WPCQYFUQHBLGAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Biphenyl-4-yl)-3-hydroxyquinuclidine
CAS: 149537-49-5
CID: 9817140
Formula: C19H21NO
MW: 279.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass279.162314293
Monoisotopic Mass279.162314293
Topological Polar Surface Area23.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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