Cav 2.2 blocker 1 50mg

CAT: 0628-A19065-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A19065-50Size:50 mg

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CAS Number

1567335-29-8

Chemical Information

Cav 2.2 blocker 1

CAS Number	1567335-29-8
PubChem CID	73292924
IUPAC Name	5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole
Molecular Formula	C25H29ClN2O2
Molecular Weight	425.0
XLogP	5.8
Topological Polar Surface Area	36.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	559

SMILES

CC1(CC(CC(O1)(C)C)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C

InChI

InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3

InChIKey

LDURKOGJFOYENC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1567335-29-8

CID: 73292924

Formula: C25H29ClN2O2

MW: 425.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	425.0
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	424.1917559
Monoisotopic Mass	424.1917559
Topological Polar Surface Area	36.3 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	559
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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