Ibrolipim

CAT: 0127-BUP10349-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10349-03Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

133208-93-2

Synonyms

NO-1886

Purity

=98%

Smiles

CCOP(=O)(Cc1ccc(cc1)C(=O)Nc1ccc(Br)cc1C#N)OCC

Chemical Information

Ibrolipim

Ibrolipim is a small molecule drug. Ibrolipim has a monoisotopic molecular weight of 450.03 Da.

CAS Number	133208-93-2
PubChem CID	131601
IUPAC Name	N-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide
Molecular Formula	C19H20BrN2O4P
Molecular Weight	451.2
XLogP	3.5
Topological Polar Surface Area	88.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	576

SMILES

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C#N)OCC

InChI

InChI=1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)22-18-10-9-17(20)11-16(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,23)

InChIKey

KPRTURMJVWXURQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133208-93-2

CID: 131601

Formula: C19H20BrN2O4P

MW: 451.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	451.2
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	450.03441
Monoisotopic Mass	450.03441
Topological Polar Surface Area	88.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	576
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
C07239-5mg	Ibrolipim