YM-53601 free base 5mg

CAT: 0628-A12507-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A12507-5Size:5 mg

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

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CAS Number

182959-28-0

Chemical Information

YM-53601 free base

CAS Number	182959-28-0
PubChem CID	15858955
IUPAC Name	2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole
Molecular Formula	C21H21FN2O
Molecular Weight	336.4
XLogP	3.5
Topological Polar Surface Area	28.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	528

SMILES

C1CN2CCC1/C(=C(/COC3=CC4=C(C=C3)C5=CC=CC=C5N4)\F)/C2

InChI

InChI=1S/C21H21FN2O/c22-19(18-12-24-9-7-14(18)8-10-24)13-25-15-5-6-17-16-3-1-2-4-20(16)23-21(17)11-15/h1-6,11,14,23H,7-10,12-13H2/b19-18-

InChIKey

XNDCPFTULXRWQH-HNENSFHCSA-N

Chemical Structure

2D Structure

CAS: 182959-28-0

CID: 15858955

Formula: C21H21FN2O

MW: 336.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.4
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	336.16379146
Monoisotopic Mass	336.16379146
Topological Polar Surface Area	28.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	528
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes