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DDX3-IN-1

CAT: 0607-BA1867-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1867-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1919828-83-3
Form
A solid
Molecular Formula
C17H17N5O
Molecular Weight
307.35
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Ddx3-IN-1
CAS Number1919828-83-3
PubChem CID122455312
IUPAC Name1-(2-methylphenyl)-3-[4-(4-methyltriazol-1-yl)phenyl]urea
Molecular FormulaC17H17N5O
Molecular Weight307.35
XLogP2.7
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity396
SMILES
CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)N3C=C(N=N3)C
InChI
InChI=1S/C17H17N5O/c1-12-5-3-4-6-16(12)19-17(23)18-14-7-9-15(10-8-14)22-11-13(2)20-21-22/h3-11H,1-2H3,(H2,18,19,23)
InChIKey
YIIUGRJFJAHCFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ddx3-IN-1
CAS: 1919828-83-3
CID: 122455312
Formula: C17H17N5O
MW: 307.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight307.35
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass307.14331018
Monoisotopic Mass307.14331018
Topological Polar Surface Area71.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity396
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