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USP5-IN-1

CAT: 0607-BA3882-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3882-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2851040-81-6
Form
A solid
Molecular Formula
C19H20ClN3O5S
Molecular Weight
437.90
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Usp5-IN-1
CAS Number2851040-81-6
PubChem CID155921308
IUPAC Name2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetic acid
Molecular FormulaC19H20ClN3O5S
Molecular Weight437.9
XLogP2.1
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity682
SMILES
C1CN(CCC1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CN=C(C=C3)C(=O)NCC(=O)O
InChI
InChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25)
InChIKey
HIWYRXWPCQHOSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Usp5-IN-1
CAS: 2851040-81-6
CID: 155921308
Formula: C19H20ClN3O5S
MW: 437.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.9
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass437.0812196
Monoisotopic Mass437.0812196
Topological Polar Surface Area125 Ų
Heavy Atom Count29
Formal Charge0
Complexity682
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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