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DIM-C-pPhCO2Me 25mg

CAT: 0628-A19278-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A19278-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
151358-48-4

Chemical Information

DIM-C-pPhCO2Me
CAS Number151358-48-4
PubChem CID15637614
IUPAC Namemethyl 4-[bis(1H-indol-3-yl)methyl]benzoate
Molecular FormulaC25H20N2O2
Molecular Weight380.4
XLogP5.4
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity541
SMILES
COC(=O)C1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C25H20N2O2/c1-29-25(28)17-12-10-16(11-13-17)24(20-14-26-22-8-4-2-6-18(20)22)21-15-27-23-9-5-3-7-19(21)23/h2-15,24,26-27H,1H3
InChIKey
BBAOKSZCULLDIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DIM-C-pPhCO2Me
CAS: 151358-48-4
CID: 15637614
Formula: C25H20N2O2
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass380.152477885
Monoisotopic Mass380.152477885
Topological Polar Surface Area57.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity541
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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Alternative Products

CatalogName
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BA9253-10DIM-C-pPhCO2Me
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