(R) -Funapide

CAT: 0926-JAC93315-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JAC93315-04Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1259933-15-7

Smiles

C1C2 (C3=CC=CC=C3N (C2=O) CC4=CC=C (O4) C (F) (F) F) C5=CC6=C (C=C5O1) OCO6

Molecular Formula

C22H14F3NO5

Molecular Weight

429.3 g/mol

Controlled

Chemical Information

(R)-Funapide

CAS Number	1259933-15-7
PubChem CID	58224170
IUPAC Name	(7R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
Molecular Formula	C22H14F3NO5
Molecular Weight	429.3
XLogP	3.5
Topological Polar Surface Area	61.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	31
Formal Charge	0
Complexity	734

SMILES

C1[C@@]2(C3=CC=CC=C3N(C2=O)CC4=CC=C(O4)C(F)(F)F)C5=CC6=C(C=C5O1)OCO6

InChI

InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m1/s1

InChIKey

NEBUOXBYNAHKFV-OAQYLSRUSA-N

Chemical Structure

2D Structure

CAS: 1259933-15-7

CID: 58224170

Formula: C22H14F3NO5

MW: 429.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	429.3
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	429.08240703
Monoisotopic Mass	429.08240703
Topological Polar Surface Area	61.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	734
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