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AZD4619

CAT: 0013-GTR19198172-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198172-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD4619
CAS Number
1067247-60-2
Field of Research
Metabolism Research, Molecular Biology
Smiles
C ([C@H] (SCCC1=CC=C (O) C=C1) C (O) =O) C2=CC=C (CCOC3=CC=C (OS (=O) (=O) O) C=C3) C=C2
Molecular Formula
C25H26O8S2
Molecular Weight
518.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-2-[2-(4-hydroxyphenyl)ethylsulfanyl]-3-[4-[2-(4-sulfooxyphenoxy)ethyl]phenyl]propanoic acid
CAS Number1067247-60-2
PubChem CID166639189
IUPAC Name(2S)-2-[2-(4-hydroxyphenyl)ethylsulfanyl]-3-[4-[2-(4-sulfooxyphenoxy)ethyl]phenyl]propanoic acid
Molecular FormulaC25H26O8S2
Molecular Weight518.6
XLogP5
Topological Polar Surface Area164
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity716
SMILES
C1=CC(=CC=C1CCOC2=CC=C(C=C2)OS(=O)(=O)O)C[C@@H](C(=O)O)SCCC3=CC=C(C=C3)O
InChI
InChI=1S/C25H26O8S2/c26-21-7-5-19(6-8-21)14-16-34-24(25(27)28)17-20-3-1-18(2-4-20)13-15-32-22-9-11-23(12-10-22)33-35(29,30)31/h1-12,24,26H,13-17H2,(H,27,28)(H,29,30,31)/t24-/m0/s1
InChIKey
YFAQRIHKVFJDJQ-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[2-(4-hydroxyphenyl)ethylsulfanyl]-3-[4-[2-(4-sulfooxyphenoxy)ethyl]phenyl]propanoic acid
CAS: 1067247-60-2
CID: 166639189
Formula: C25H26O8S2
MW: 518.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.6
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass518.10691013
Monoisotopic Mass518.10691013
Topological Polar Surface Area164 Ų
Heavy Atom Count35
Formal Charge0
Complexity716
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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