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WAY127093B racemate

CAT: 0127-BUP12599-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12599-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145743-63-1
Purity
=98%
Smiles
CN1C(CC(=O)N1C(NCC=2C=CC=NC2)=O)C3=CC(OC4CCCC4)=C(OC)C=C3

Chemical Information

WAY127093B racemate
CAS Number145743-63-1
PubChem CID19792796
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide
Molecular FormulaC23H28N4O4
Molecular Weight424.5
XLogP3
Topological Polar Surface Area84
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity627
SMILES
CN1C(CC(=O)N1C(=O)NCC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4
InChI
InChI=1S/C23H28N4O4/c1-26-19(13-22(28)27(26)23(29)25-15-16-6-5-11-24-14-16)17-9-10-20(30-2)21(12-17)31-18-7-3-4-8-18/h5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3,(H,25,29)
InChIKey
JBTJXXDPSJKBRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of WAY127093B racemate
CAS: 145743-63-1
CID: 19792796
Formula: C23H28N4O4
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass424.21105539
Monoisotopic Mass424.21105539
Topological Polar Surface Area84 Ų
Heavy Atom Count31
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T13331-01WAY127093B racemate
HY-101749WAY127093B (racemate)
A19474-200WAY127093B racemate 200mg
A19474-50WAY127093B racemate 50mg
A19474-10WAY127093B racemate 10mg
A19474-100WAY127093B racemate 100mg
A19474-5WAY127093B racemate 5mg
A19474-1WAY127093B racemate 1mg
A19474-25WAY127093B racemate 25mg
A19474-10mM-DWAY127093B racemate 10mM * 1mL in DMSO

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