TAK-875 100mg

CAT: 0628-A11018-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A11018-100Size:100 mg

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CAS Number

1000413-72-8

Chemical Information

Fasiglifam

Fasiglifam is a member of biphenyls.

CAS Number	1000413-72-8
PubChem CID	24857286
IUPAC Name	2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Molecular Formula	C29H32O7S
Molecular Weight	524.6
XLogP	4.7
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Heavy Atom Count	37
Formal Charge	0
Complexity	828

SMILES

CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC4=C(C=C3)[C@@H](CO4)CC(=O)O)C)OCCCS(=O)(=O)C

InChI

InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1

InChIKey

BZCALJIHZVNMGJ-HSZRJFAPSA-N

Chemical Structure

2D Structure

CAS: 1000413-72-8

CID: 24857286

Formula: C29H32O7S

MW: 524.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	524.6
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	524.18687453
Monoisotopic Mass	524.18687453
Topological Polar Surface Area	108 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	828
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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A11018-1	TAK-875 (Fasiglifam) 1mg
A11018-25	TAK-875 (Fasiglifam) 25mg
A11018-2	TAK-875 (Fasiglifam) 2mg
A11018-10mM-D	TAK-875 10mM * 1mL in DMSO
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Catalog	Name
A8339-10	TAK-875
FT137724-01	TAK 875
463569-01	(R) - (-) -TAK-875
TRC-T004910-200MG	(R)-(-)-TAK-875
MBS578119	TAK-875 Hemihydrate
MBS386261-01	TAK-875 (Fasiglifam)
TRC-T004905-250MG	rac-TAK-875
B1280-5	Fasiglifam (TAK-875)
C08742-5mg	Fasiglifam (TAK-875) Hemihydrate

TAK-875 100mg

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