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AM-1638

CAT: 0926-SVB21462-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-SVB21462-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1142214-62-7
MDL Number
MFCD25976578
Smiles
CC1 (CCC=C1C2=C (C=CC (=C2) COC3=CC=CC (=C3) C (CC (=O) O) C4CC4) C5=C (C=CC (=C5) OC) F) C
Molecular Formula
C33H35FO4
Molecular Weight
514.6 g/mol
Controlled
No

Chemical Information

(S)-3-Cyclopropyl-3-(3-((2-(5,5-dimethylcyclopent-1-en-1-yl)-2'-fluoro-5'-methoxy-[1,1'-biphenyl]-4-yl)methoxy)phenyl)propanoic acid
CAS Number1142214-62-7
PubChem CID57706778
IUPAC Name(3S)-3-cyclopropyl-3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
Molecular FormulaC33H35FO4
Molecular Weight514.6
XLogP7.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity835
SMILES
CC1(CCC=C1C2=C(C=CC(=C2)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4)C5=C(C=CC(=C5)OC)F)C
InChI
InChI=1S/C33H35FO4/c1-33(2)15-5-8-30(33)28-16-21(9-13-26(28)29-18-24(37-3)12-14-31(29)34)20-38-25-7-4-6-23(17-25)27(19-32(35)36)22-10-11-22/h4,6-9,12-14,16-18,22,27H,5,10-11,15,19-20H2,1-3H3,(H,35,36)/t27-/m0/s1
InChIKey
CHEANNSDVJOIBS-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of (S)-3-Cyclopropyl-3-(3-((2-(5,5-dimethylcyclopent-1-en-1-yl)-2'-fluoro-5'-methoxy-[1,1'-biphenyl]-4-yl)methoxy)phenyl)propanoic acid
CAS: 1142214-62-7
CID: 57706778
Formula: C33H35FO4
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass514.25193776
Monoisotopic Mass514.25193776
Topological Polar Surface Area55.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity835
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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