Carfloglitazar (free base)

CAT: 0013-GTR19210225-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19210225-01Size:25 mg

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Description

Carfloglitazar (free base)

CAS Number

2213406-75-6

Smiles

C (COC1=CC=C (CC (NC2=C (C (=O) C3=CC=C (F) C=C3) C=CC=C2) C (O) =O) C=C1) N4C=5C (C=6C4=CC=CC6) =CC=CC5

Molecular Formula

C36H29FN2O4

Molecular Weight

572.62

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Carfloglitazar

CAS Number	2213406-75-6
PubChem CID	9938010
IUPAC Name	3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-[2-(4-fluorobenzoyl)anilino]propanoic acid
Molecular Formula	C36H29FN2O4
Molecular Weight	572.6
XLogP	8.5
Topological Polar Surface Area	80.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	43
Formal Charge	0
Complexity	895

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2CCOC4=CC=C(C=C4)CC(C(=O)O)NC5=CC=CC=C5C(=O)C6=CC=C(C=C6)F

InChI

InChI=1S/C36H29FN2O4/c37-26-17-15-25(16-18-26)35(40)30-9-1-4-10-31(30)38-32(36(41)42)23-24-13-19-27(20-14-24)43-22-21-39-33-11-5-2-7-28(33)29-8-3-6-12-34(29)39/h1-20,32,38H,21-23H2,(H,41,42)

InChIKey

QNLWMPLUWMWDMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2213406-75-6

CID: 9938010

Formula: C36H29FN2O4

MW: 572.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	572.6
XLogP3	8.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	572.21113557
Monoisotopic Mass	572.21113557
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	895
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Carfloglitazar (free base)

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