TIS108

CAT: 0931-T80982-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T80982-02Size:50 mg

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

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CAS Number

1315459-30-3

Target

Others

Related Pathways

Others

Bioactivity

TIS108, a triazole-type strigolactone biosynthetic inhibitor, impedes embryogenesis in Arabidopsis and diminishes the concentration of 2′-epi-5-deoxystrigol (epi-5DS) in rice [1].

Smiles

O=C(C=1C=CC=CC1)C(N2N=CN=C2)CCCCOC=3C=CC=CC3

Molecular Formula

C20H21N3O2

Molecular Weight

335.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

6-Phenoxy-1-phenyl-2-(1,2,4-triazol-1-YL)hexan-1-one

CAS Number	1315459-30-3
PubChem CID	102359173
IUPAC Name	6-phenoxy-1-phenyl-2-(1,2,4-triazol-1-yl)hexan-1-one
Molecular Formula	C20H21N3O2
Molecular Weight	335.4
XLogP	4.3
Topological Polar Surface Area	57
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	25
Formal Charge	0
Complexity	392

SMILES

C1=CC=C(C=C1)C(=O)C(CCCCOC2=CC=CC=C2)N3C=NC=N3

InChI

InChI=1S/C20H21N3O2/c24-20(17-9-3-1-4-10-17)19(23-16-21-15-22-23)13-7-8-14-25-18-11-5-2-6-12-18/h1-6,9-12,15-16,19H,7-8,13-14H2

InChIKey

PCSREBFOVZSWQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1315459-30-3

CID: 102359173

Formula: C20H21N3O2

MW: 335.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	335.4
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	335.16337692
Monoisotopic Mass	335.16337692
Topological Polar Surface Area	57 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	392
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

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Catalog	Name
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Alternative Products

Catalog	Name
HY-136403-01	TIS108

TIS108

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