NKY80

CAT: 0127-BUP09732-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09732-06Size:200 mg

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

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CAS Number

299442-43-6

Synonyms

Adenylyl cyclase type V Inhibitor

Purity

=98%

Smiles

NC1=NC2=C(C=N1)C(=O)CC(C2)C1=CC=CO1

Chemical Information

Nky80

CAS Number	299442-43-6
PubChem CID	2772368
IUPAC Name	2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
Molecular Formula	C12H11N3O2
Molecular Weight	229.23
XLogP	0.5
Topological Polar Surface Area	82
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	310

SMILES

C1C(CC(=O)C2=CN=C(N=C21)N)C3=CC=CO3

InChI

InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)

InChIKey

SOJUSNIBPPMLCC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 299442-43-6

CID: 2772368

Formula: C12H11N3O2

MW: 229.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.23
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	229.085126602
Monoisotopic Mass	229.085126602
Topological Polar Surface Area	82 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	310
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T16333-01	NKY80
sc-221217A	Adenylyl Cyclase Type V Inhibitor, NKY80