XX-650-23

CAT: 0127-BUP07646-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07646-01Size:5 mg

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

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CAS Number

117739-40-9

Synonyms

XX 650 23, XX65023

Purity

=95%

Smiles

N#CC1=CC=C(C=C1)NC(=O)C2=CC=3C=CC=CC3C=C2O

Chemical Information

N-(4-Cyanophenyl)-3-hydroxynaphthalene-2-carboxamide

CAS Number	117739-40-9
PubChem CID	14978997
IUPAC Name	N-(4-cyanophenyl)-3-hydroxynaphthalene-2-carboxamide
Molecular Formula	C18H12N2O2
Molecular Weight	288.3
XLogP	3.9
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	447

SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C18H12N2O2/c19-11-12-5-7-15(8-6-12)20-18(22)16-9-13-3-1-2-4-14(13)10-17(16)21/h1-10,21H,(H,20,22)

InChIKey

DRBIYQSSEMTUJQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117739-40-9

CID: 14978997

Formula: C18H12N2O2

MW: 288.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.3
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	288.089877630
Monoisotopic Mass	288.089877630
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	447
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

Catalog	Name
BA4734-10	XX-650-23
A24440-50	XX-650-23 50mg
A24440-10	XX-650-23 10mg
A24440-100	XX-650-23 100mg
A24440-5	XX-650-23 5mg
MBS6483355-01	Interleukin 23 (IL-23) (MaxLight 650)
GTR17987344	XX Antibody
I8443-42A-ML650	Interleukin 23, CT (IL-23) (MaxLight 650)
I8443-42-ML650	Interleukin 23, CT (IL-23) (MaxLight 650) discontinued
I8443-40C-ML650	Interleukin 23, p19 (IL-23) (MaxLight 650) discontinued