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CAT: 1106-ALX-270-221-M001Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1106-ALX-270-221-M001Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129075-73-6
Certification
RUO
Target
PARP
Type
Inhibitor
Stability
As indicated on product label or CoA when stored as recommended. Stock solutions in DMSO are stable for up to 1 month when stored at -20°C.
Purity
≥98% (HPLC)
Solubility
Soluble in DMSO; slightly soluble in 100% ethanol; insoluble in water.
Molecular Formula
C 18 H 26 N 2 O 2
Molecular Weight
302.4
Shipping Conditions
Ambient Temperature
Storage Conditions
+4°C
Appearance
Off-white to light brown solid.
Identity
Determined by 1H-NMR.

Chemical Information

3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CAS Number129075-73-6
PubChem CID9948349
IUPAC Name5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one
Molecular FormulaC18H26N2O2
Molecular Weight302.4
XLogP2.8
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity355
SMILES
C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O
InChI
InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)
InChIKey
RVOUDNBEIXGHJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CAS: 129075-73-6
CID: 9948349
Formula: C18H26N2O2
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass302.199428076
Monoisotopic Mass302.199428076
Topological Polar Surface Area41.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity355
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

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