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RAD-150

CAT: 1289-A-RA-1KG-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:1289-A-RA-1KG-01Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1208070-53-4
Shipping Conditions
Ice Packs or Room Temperature

Chemical Information

TLB 150 Benzoate
CAS Number1208070-53-4
PubChem CID68547459
IUPAC Name[(1R,2S)-1-(3-chloro-4-cyano-2-methylanilino)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propan-2-yl] benzoate
Molecular FormulaC27H20ClN5O3
Molecular Weight497.9
XLogP5.4
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity841
SMILES
CC1=C(C=CC(=C1Cl)C#N)N[C@@H](C2=NN=C(O2)C3=CC=C(C=C3)C#N)[C@H](C)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H20ClN5O3/c1-16-22(13-12-21(15-30)23(16)28)31-24(17(2)35-27(34)20-6-4-3-5-7-20)26-33-32-25(36-26)19-10-8-18(14-29)9-11-19/h3-13,17,24,31H,1-2H3/t17-,24+/m0/s1
InChIKey
NQUKIBBKKLFEQU-BXKMTCNYSA-N
Chemical Structure
2D Structure
2D structure of TLB 150 Benzoate
CAS: 1208070-53-4
CID: 68547459
Formula: C27H20ClN5O3
MW: 497.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.9
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass497.1254672
Monoisotopic Mass497.1254672
Topological Polar Surface Area125 Ų
Heavy Atom Count36
Formal Charge0
Complexity841
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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