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Bisoxatin

CAT: 0013-GTR19195386-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195386-02Size:5 mg
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Description
Bisoxatin (LA 271A) is a small molecule contact laxative used in research on chronic constipation. It serves as a pharmacological tool for investigating mechanisms of intestinal motility and secretory function in both in vivo animal models and in vitro tissue studies.
CAS Number
17692-24-9
Product Name Alternative
SARSCoV, SARS-CoV-2, Bisoxatin
Field of Research
Infectious Disease & Virology, Metabolism Research, Pharmacology & Drug Discovery
Purity
99.47% (May vary between batches)
Smiles
O=C1NC=2C=CC=CC2OC1 (C3=CC=C (O) C=C3) C4=CC=C (O) C=C4
Molecular Formula
C20H15NO4
Molecular Weight
333.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bisoxatin

Bisoxatin is a diarylmethane.

CAS Number17692-24-9
PubChem CID28689
IUPAC Name2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
Molecular FormulaC20H15NO4
Molecular Weight333.3
XLogP3.3
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity458
SMILES
C1=CC=C2C(=C1)NC(=O)C(O2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24)
InChIKey
BPKUDUSVDVLOPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bisoxatin
CAS: 17692-24-9
CID: 28689
Formula: C20H15NO4
MW: 333.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.3
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass333.10010796
Monoisotopic Mass333.10010796
Topological Polar Surface Area78.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
442965-01Bisoxatin
HY-121068RBisoxatin (Standard)
MBS5780109Bisoxatin acetate
HY-117749-01Bisoxatin (acetate)
442966-01Bisoxatin-d8

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