Rapanone

CAT: 0931-TN4893-02Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TN4893-02Size:1 mg

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

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CAS Number

573-40-0

Target

Apoptosis, Phospholipase, Parasite, Antibacterial

Related Pathways

Microbiology/Virology, Apoptosis, Metabolism

Purity

0.9972

Bioactivity

Rapanone (2,5-Dihydroxy-3-tridecyl-[1,4]benzoquinone) is a natural benzoquinone that is a potent and selective inhibitor of human synovial PLA2.

Smiles

CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O

Molecular Formula

C19H30O4

Molecular Weight

322.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Rapanone

Rapanone is a member of dihydroxy-1,4-benzoquinones.

CAS Number	573-40-0
PubChem CID	100659
IUPAC Name	2,5-dihydroxy-3-tridecylcyclohexa-2,5-diene-1,4-dione
Molecular Formula	C19H30O4
Molecular Weight	322.4
XLogP	6.5
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Heavy Atom Count	23
Formal Charge	0
Complexity	460

SMILES

CCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O

InChI

InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3

InChIKey

AMKNOBHCKRZHIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 573-40-0

CID: 100659

Formula: C19H30O4

MW: 322.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	322.4
XLogP3	6.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	322.21440943
Monoisotopic Mass	322.21440943
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	460
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

Alternative Products

Catalog	Name
FR137931	Rapanone

Rapanone

Chemical Information

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