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PCSK9-IN-10

CAT: 0607-BA8064-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8064-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
368434-98-4
Form
A solid
Molecular Formula
C18H23N5O4
Molecular Weight
373.41
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Pcsk9-IN-10
CAS Number368434-98-4
PubChem CID3769828
IUPAC Name8-(2-methoxyethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
Molecular FormulaC18H23N5O4
Molecular Weight373.4
XLogP1.3
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity548
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOC)CC3=CC(=CC=C3)OC
InChI
InChI=1S/C18H23N5O4/c1-21-15-14(16(24)22(2)18(21)25)23(17(20-15)19-8-9-26-3)11-12-6-5-7-13(10-12)27-4/h5-7,10H,8-9,11H2,1-4H3,(H,19,20)
InChIKey
YUNMPASCLGGSKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pcsk9-IN-10
CAS: 368434-98-4
CID: 3769828
Formula: C18H23N5O4
MW: 373.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass373.17500423
Monoisotopic Mass373.17500423
Topological Polar Surface Area88.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity548
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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