Compound Y-1

CAT: 1410-M22267-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1410-M22267-02Size:5 mg

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Description

Compound Y-1 is a novel neuraminidase inhibitor.

CAS Number

2379438-80-7

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

——

Molecular Formula

——

Notes

Research use only, not for human use.

Receptor

Neuraminidase

Chemical Information

Neuraminidase-IN-1

CAS Number	2379438-80-7
PubChem CID	154585120
IUPAC Name	3,5-dihydroxy-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
Molecular Formula	C14H11N3O6
Molecular Weight	317.25
XLogP	2.2
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	456

SMILES

C1=CC(=C(C=C1/C=N/NC(=O)C2=CC(=CC(=C2)O)O)[N+](=O)[O-])O

InChI

InChI=1S/C14H11N3O6/c18-10-4-9(5-11(19)6-10)14(21)16-15-7-8-1-2-13(20)12(3-8)17(22)23/h1-7,18-20H,(H,16,21)/b15-7+

InChIKey

MCGROFKAAXXTBN-VIZOYTHASA-N

Chemical Structure

2D Structure

CAS: 2379438-80-7

CID: 154585120

Formula: C14H11N3O6

MW: 317.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	317.25
XLogP3	2.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	317.06478508
Monoisotopic Mass	317.06478508
Topological Polar Surface Area	148 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	456
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

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Catalog	Name
ALX-550-516-M025	Compound A
A8197-5.1	Compound 56
C8444-50	Compound C108
C5824-10	GPR120 Compound A
B7337-5	Compound 401
XXC35825-01	Compound 3a
Fr16729-01	Compound Fr16729
PDK0296-01	Compound PDK0296
PDK0264-01	Compound PDK0264
Fr14090-01	Compound Fr14090

Compound Y-1

Chemical Information

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