Cetaben

CAT: 0127-BUP01310-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01310-02Size:10 mg

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

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CAS Number

55986-43-1

Purity

=98%

Smiles

CCCCCCCCCCCCCCCCNc1ccc(cc1)C(O)=O

Chemical Information

4-(Hexadecylamino)benzoic acid

Cetaben is a small molecule drug. Cetaben has a monoisotopic molecular weight of 361.3 Da.

CAS Number	55986-43-1
PubChem CID	47263
IUPAC Name	4-(hexadecylamino)benzoic acid
Molecular Formula	C23H39NO2
Molecular Weight	361.6
XLogP	9.2
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Heavy Atom Count	26
Formal Charge	0
Complexity	324

SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23(25)26/h16-19,24H,2-15,20H2,1H3,(H,25,26)

InChIKey

QXWKHSSBFQDQPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55986-43-1

CID: 47263

Formula: C23H39NO2

MW: 361.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.6
XLogP3	9.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Exact Mass	361.298079487
Monoisotopic Mass	361.298079487
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	324
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
HY-119964-01	Cetaben
A11137-5	Cetaben 5mg
A11137-10	Cetaben 10mg
A11137-1	Cetaben 1mg
A11137-200	Cetaben 200mg
A11137-25	Cetaben 25mg
A11137-500	Cetaben 500mg
A11137-100	Cetaben 100mg
A11137-50	Cetaben 50mg
sc-203185	Peroxisome Proliferator, Cetaben