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 Number	1195941-38-8
PubChem CID	44481866
IUPAC Name	2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Molecular Formula	C27H27NO5
Molecular Weight	445.5
XLogP	4.9
Topological Polar Surface Area	84.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	33
Formal Charge	0
Complexity	667

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

CAS: 1195941-38-8

CID: 44481866

Formula: C27H27NO5

MW: 445.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	445.5
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	445.18892296
Monoisotopic Mass	445.18892296
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	667
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A12156-5	SAR-100842 5mg
A12156-2	SAR-100842 2mg
A12156-10mM-D	SAR-100842 10mM * 1mL in DMSO
A20380-100	SAR-20347 100mg
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A17237-100	SAR-7334 HCl 100mg

Alternative Products

Catalog	Name
M10688-01	SAR-100842
HY-P4166-01	Ac-{Gly (N-me) }-Sar-Sar-Sar-Sar-Sar-Sar-Sar-Sar-Sar
HY-164166-01	Fmoc-Sar-Sar-Sar-OH
G-3135.0250	Sar-Sar-OH
MBS9023016-01	Fmoc-Sar-Sar-OH
4013914.025	H-Gly-Sar-Sar-OH
241944-01	Sar-Sar-OH 98+% (TLC)
MBS131510	SAR-407899 ?SAR407899?SAR 407899?
BA4900-5.1	SAR-20347
BA3866-5	SAR-020106

SAR-100842 100mg

Chemical Information

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