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DDX3-IN-2

CAT: 0607-BA1906-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1906-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1919828-81-1
Form
A solid
Molecular Formula
C20H23N5O
Molecular Weight
349.43
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Ddx3-IN-2
CAS Number1919828-81-1
PubChem CID122455309
IUPAC Name1-[4-(4-butyltriazol-1-yl)phenyl]-3-(2-methylphenyl)urea
Molecular FormulaC20H23N5O
Molecular Weight349.4
XLogP4
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity438
SMILES
CCCCC1=CN(N=N1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C
InChI
InChI=1S/C20H23N5O/c1-3-4-8-17-14-25(24-23-17)18-12-10-16(11-13-18)21-20(26)22-19-9-6-5-7-15(19)2/h5-7,9-14H,3-4,8H2,1-2H3,(H2,21,22,26)
InChIKey
LZPQWTRWEKFHPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ddx3-IN-2
CAS: 1919828-81-1
CID: 122455309
Formula: C20H23N5O
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass349.19026037
Monoisotopic Mass349.19026037
Topological Polar Surface Area71.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity438
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