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1,3-Dibenzylurea

CAT: 0804-HY-W097200-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W097200-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1,3-Dibenzylurea is an insect growth regulator and a mouse soluble epoxide hydrolase (MsEH) inhibitor[1].
CAS Number
1466-67-7
Product Name Alternative
N, N′-Dibenzylurea
UNSPSC
12352005
Hazard Statement
H302, H319, H372, H410
Target
Epoxide Hydrolase
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Purity
99.92
Smiles
O=C(NCC1=CC=CC=C1)NCC2=CC=CC=C2
Molecular Formula
C15H16N2O
Molecular Weight
240.31
Precautions
H302, H319, H372, H410
References & Citations
[1]Nakagawa Y, et al. 3-D QSAR analysis of inhibition of murine soluble epoxide hydrolase (MsEH) by benzoylureas, arylureas, and their analogues. Bioorg Med Chem. 2000 Nov;8 (11) :2663-73.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Urea, N,N'-bis(phenylmethyl)-

Urea, N,N'-bis(phenylmethyl)- has been reported in Pentadiplandra brazzeana, Moringa oleifera, and Salvadora oleoides with data available.

CAS Number1466-67-7
PubChem CID72889
IUPAC Name1,3-dibenzylurea
Molecular FormulaC15H16N2O
Molecular Weight240.30
XLogP2.4
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity219
SMILES
C1=CC=C(C=C1)CNC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
InChIKey
KATOLVAXCGIBLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Urea, N,N'-bis(phenylmethyl)-
CAS: 1466-67-7
CID: 72889
Formula: C15H16N2O
MW: 240.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.30
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass240.126263138
Monoisotopic Mass240.126263138
Topological Polar Surface Area41.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity219
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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