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OfChi-h-IN-1

CAT: 0931-T81620-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T81620-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
902928-83-0
Target
Others
Related Pathways
Others
Bioactivity
OfChi-h-IN-1 is a potent inhibitor of OfChi-h with a K i value of 0.33 μM, significantly suppressing the growth and development of Ostrinia nubilalis larvae. It demonstrates superior insecticidal activity compared to Hexaflumuron and is considered a novel candidate for an insect growth regulator [1].
Smiles
CC(C)CN1C2=NN=C(CCC(=O)NCC3=CC=C(C)C=C3)N2C2=CC=CC=C2C1=O
Molecular Formula
C24H27N5O2
Molecular Weight
417.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(4-methylphenyl)methyl]-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
CAS Number902928-83-0
PubChem CID20881136
IUPAC NameN-[(4-methylphenyl)methyl]-3-[4-(2-methylpropyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
Molecular FormulaC24H27N5O2
Molecular Weight417.5
XLogP3.2
Topological Polar Surface Area80.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity633
SMILES
CC1=CC=C(C=C1)CNC(=O)CCC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC(C)C
InChI
InChI=1S/C24H27N5O2/c1-16(2)15-28-23(31)19-6-4-5-7-20(19)29-21(26-27-24(28)29)12-13-22(30)25-14-18-10-8-17(3)9-11-18/h4-11,16H,12-15H2,1-3H3,(H,25,30)
InChIKey
RTKGDSQKBUSOKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(4-methylphenyl)methyl]-3-[4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
CAS: 902928-83-0
CID: 20881136
Formula: C24H27N5O2
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass417.21647512
Monoisotopic Mass417.21647512
Topological Polar Surface Area80.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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