Products for Research Use Only

Pancreatin

CAT: 0013-GTR19176982-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19176982-02Size:5 g
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Description
Pancreatin
CAS Number
8049-47-6
Product Name Alternative
Inhibitor, inhibit, Pancreatic enzymes, Pancreatin, pancrelipase
Solubility
H2O:< 0.1 mg/mL (insoluble) ; DMSO:5 mg/mL
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Benzylsulfonyl)-1-(morpholin-4-yl)ethanone

See also: Pancreatin (annotation moved to).

CAS Number8049-47-6
PubChem CID284483
IUPAC Name2-benzylsulfonyl-1-morpholin-4-ylethanone
Molecular FormulaC13H17NO4S
Molecular Weight283.35
XLogP0.3
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity389
SMILES
C1COCCN1C(=O)CS(=O)(=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO4S/c15-13(14-6-8-18-9-7-14)11-19(16,17)10-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKey
KQGYUJZLKGSELN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Benzylsulfonyl)-1-(morpholin-4-yl)ethanone
CAS: 8049-47-6
CID: 284483
Formula: C13H17NO4S
MW: 283.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight283.35
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass283.08782920
Monoisotopic Mass283.08782920
Topological Polar Surface Area72.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity389
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