Nafcaproic acid

CAT: 0013-GTR19193413-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19193413-02Size:50 mg

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Description

Nafcaproic acid (DA-808) is a synthetic compound with choleretic properties, promoting bile secretion. It is utilized in pharmacological research to study hepatobiliary function and related disorders in both in vitro and in vivo experimental models.

CAS Number

1085-91-2

Smiles

O=C (O) C (C1=CC=CC=2C=CC=CC21) (CC) CC

Molecular Formula

C16H18O2

Molecular Weight

242.31

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Nafcaproic Acid

Nafcaproic acid is a small molecule drug. Nafcaproic acid has a monoisotopic molecular weight of 242.13 Da.

CAS Number	1085-91-2
PubChem CID	14144
IUPAC Name	2-ethyl-2-naphthalen-1-ylbutanoic acid
Molecular Formula	C16H18O2
Molecular Weight	242.31
XLogP	4.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	293

SMILES

CCC(CC)(C1=CC=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H18O2/c1-3-16(4-2,15(17)18)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,18)

InChIKey

NONNPKGLUCHFEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1085-91-2

CID: 14144

Formula: C16H18O2

MW: 242.31

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	242.31
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	242.130679813
Monoisotopic Mass	242.130679813
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	293
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

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Nafcaproic acid

Chemical Information

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