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ZLY032

CAT: 0013-GTR19191825-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191825-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ZLY032
CAS Number
2314465-67-1
Field of Research
Metabolism Research, Molecular Biology
Smiles
C (C (O) =O) [C@H]1C=2C (=CC (OCC=3SC (=NC3C) C4=CC=C (C (F) (F) F) C=C4) =CC2) OC1
Molecular Formula
C22H18F3NO4S
Molecular Weight
449.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S)-2,3-dihydro-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methoxy]-3-benzofuranacetic acid
CAS Number2314465-67-1
PubChem CID155565451
IUPAC Name2-[(3S)-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Molecular FormulaC22H18F3NO4S
Molecular Weight449.4
XLogP4.7
Topological Polar Surface Area96.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity628
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC4=C(C=C3)[C@@H](CO4)CC(=O)O
InChI
InChI=1S/C22H18F3NO4S/c1-12-19(31-21(26-12)13-2-4-15(5-3-13)22(23,24)25)11-29-16-6-7-17-14(8-20(27)28)10-30-18(17)9-16/h2-7,9,14H,8,10-11H2,1H3,(H,27,28)/t14-/m1/s1
InChIKey
YBBZJHLFUPKHJD-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of (3S)-2,3-dihydro-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methoxy]-3-benzofuranacetic acid
CAS: 2314465-67-1
CID: 155565451
Formula: C22H18F3NO4S
MW: 449.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass449.09086372
Monoisotopic Mass449.09086372
Topological Polar Surface Area96.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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