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AL-321

CAT: 0931-T29815-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29815-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74772-68-2
Target
Others
Related Pathways
Others
Bioactivity
AL-321 is a bio-active chemical. Detailed information has not been published. (Last Updated: 05/06/2016) .
Smiles
O=C1SC(C(=O)N1)CC2=CC=C(OCC(C=3C=CC=CC3)(C)C)C=C2
Molecular Formula
C20H21NO3S
Molecular Weight
355.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-((4-(2-Methyl-2-phenylpropoxy)phenyl)methyl)-2,4-thiazolidinedione

AL-321 is an alkylbenzene.

CAS Number74772-68-2
PubChem CID194620
IUPAC Name5-[[4-(2-methyl-2-phenylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC20H21NO3S
Molecular Weight355.5
XLogP4.9
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity479
SMILES
CC(C)(COC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO3S/c1-20(2,15-6-4-3-5-7-15)13-24-16-10-8-14(9-11-16)12-17-18(22)21-19(23)25-17/h3-11,17H,12-13H2,1-2H3,(H,21,22,23)
InChIKey
FZKKPKRWTSYXLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-((4-(2-Methyl-2-phenylpropoxy)phenyl)methyl)-2,4-thiazolidinedione
CAS: 74772-68-2
CID: 194620
Formula: C20H21NO3S
MW: 355.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass355.12421471
Monoisotopic Mass355.12421471
Topological Polar Surface Area80.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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