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SAR-100842 100mg

CAT: 0628-A12156-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A12156-100Size:100 mg
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CAS Number
1195941-38-8

Chemical Information

Fipaxalparant

an allosteric inhibitor of lysophosphatidic acid 1 receptor (LPA1R)

CAS Number1195941-38-8
PubChem CID44481866
IUPAC Name2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Molecular FormulaC27H27NO5
Molecular Weight445.5
XLogP4.9
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity667
SMILES
CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O)OC
InChI
InChI=1S/C27H27NO5/c1-18-6-5-7-19(14-18)12-13-33-24-15-20(10-11-23(24)32-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,29)(H,30,31)
InChIKey
SOJDTNUCCXWTMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fipaxalparant
CAS: 1195941-38-8
CID: 44481866
Formula: C27H27NO5
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass445.18892296
Monoisotopic Mass445.18892296
Topological Polar Surface Area84.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity667
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M10688-01SAR-100842
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241944-01Sar-Sar-OH 98+% (TLC)
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