Evandamine

CAT: 0931-T71657-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T71657-02Size:50 mg

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

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CAS Number

100035-75-4

Target

Others

Related Pathways

Others

Bioactivity

Evandamine is a Lipooxygenase Inhibitor

Smiles

CC1N(N=C(N)C1)C2=NC3=C(S2)CCCC3

Molecular Formula

C11H16N4S

Molecular Weight

236.34

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Evandamine

CAS Number	100035-75-4
PubChem CID	3038554
IUPAC Name	3-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-5-amine
Molecular Formula	C11H16N4S
Molecular Weight	236.34
XLogP	1.8
Topological Polar Surface Area	82.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	306

SMILES

CC1CC(=NN1C2=NC3=C(S2)CCCC3)N

InChI

InChI=1S/C11H16N4S/c1-7-6-10(12)14-15(7)11-13-8-4-2-3-5-9(8)16-11/h7H,2-6H2,1H3,(H2,12,14)

InChIKey

GINRFPGQEWNBJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100035-75-4

CID: 3038554

Formula: C11H16N4S

MW: 236.34

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	236.34
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	236.10956770
Monoisotopic Mass	236.10956770
Topological Polar Surface Area	82.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	306
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5814195	Evandamine

Evandamine

Chemical Information

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