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Compound FL0244

CAT: 0931-FL0244-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0244-02Size:5 mg
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CAS Number
1630906-81-8
Bioactivity
Compound FL0244, with CAS No. 1630906-81-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0244 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
N#CC1(CCOCC1)N(Cc1ccccc1)Cc1ccccc1
Molecular Formula
C20H22N2O
Molecular Weight
306.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(Dibenzylamino)oxane-4-carbonitrile
CAS Number1630906-81-8
PubChem CID91800911
IUPAC Name4-(dibenzylamino)oxane-4-carbonitrile
Molecular FormulaC20H22N2O
Molecular Weight306.4
XLogP3.2
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity375
SMILES
C1COCCC1(C#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H22N2O/c21-17-20(11-13-23-14-12-20)22(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10H,11-16H2
InChIKey
JLOOYLXTIXLRJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Dibenzylamino)oxane-4-carbonitrile
CAS: 1630906-81-8
CID: 91800911
Formula: C20H22N2O
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass306.173213330
Monoisotopic Mass306.173213330
Topological Polar Surface Area36.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity375
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

Related Products

CatalogName
FL0247-01Compound FL0247
FL0044-01Compound FL0044
FL0241-01Compound FL0241
FL0240-01Compound FL0240
FL0218-01Compound FL0218
FL0280-01Compound FL0280
FL0290-01Compound FL0290
FL0221-01Compound FL0221
FL0223-01Compound FL0223
FL0213-01Compound FL0213

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