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CID755673

CAT: 1410-M14838-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M14838-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
The first potent and selective cell-active pan-PKD inhibitor.
CAS Number
521937-07-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
217.2206
Molecular Formula
C12H11NO3
Notes
Research use only, not for human use.
Receptor
PKD1|PKD2|PKD3

Chemical Information

Cid755673

7-hydroxy-2,3,4,5-tetrahydrobenzofuro[2,3-c]azepin-1-one is a member of benzofurans.

CAS Number521937-07-5
PubChem CID755673
IUPAC Name7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one
Molecular FormulaC12H11NO3
Molecular Weight217.22
XLogP2
Topological Polar Surface Area62.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity294
SMILES
C1CC2=C(C(=O)NC1)OC3=C2C=C(C=C3)O
InChI
InChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
InChIKey
AACFPJSJOWQNBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cid755673
CAS: 521937-07-5
CID: 755673
Formula: C12H11NO3
MW: 217.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.22
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass217.07389321
Monoisotopic Mass217.07389321
Topological Polar Surface Area62.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity294
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
HY-12239-01CID755673

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