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AS1708727

CAT: 0607-BA3640-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3640-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1253226-93-5
Form
A solid
Molecular Formula
C24H24Cl2N2O2
Molecular Weight
443.37
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

2-Cyclopentyl-n-(2,4-dichloro-3-((isoquinolin-5-yloxy)methyl)phenyl)-n-methylacetamide
CAS Number1253226-93-5
PubChem CID49787159
IUPAC Name2-cyclopentyl-N-[2,4-dichloro-3-(isoquinolin-5-yloxymethyl)phenyl]-N-methylacetamide
Molecular FormulaC24H24Cl2N2O2
Molecular Weight443.4
XLogP6.3
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity571
SMILES
CN(C1=C(C(=C(C=C1)Cl)COC2=CC=CC3=C2C=CN=C3)Cl)C(=O)CC4CCCC4
InChI
InChI=1S/C24H24Cl2N2O2/c1-28(23(29)13-16-5-2-3-6-16)21-10-9-20(25)19(24(21)26)15-30-22-8-4-7-17-14-27-12-11-18(17)22/h4,7-12,14,16H,2-3,5-6,13,15H2,1H3
InChIKey
OZEZQEPCCWFFJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclopentyl-n-(2,4-dichloro-3-((isoquinolin-5-yloxy)methyl)phenyl)-n-methylacetamide
CAS: 1253226-93-5
CID: 49787159
Formula: C24H24Cl2N2O2
MW: 443.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.4
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass442.1214834
Monoisotopic Mass442.1214834
Topological Polar Surface Area42.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity571
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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