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PCSK9-IN-12

CAT: 0607-BA8062-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8062-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2455427-91-3
Form
A solid
Molecular Formula
C20H20F2N6O2
Molecular Weight
414.41
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Laroprovstat

Laroprovstat is a small molecule drug. Laroprovstat has a monoisotopic molecular weight of 414.16 Da.

CAS Number2455427-91-3
PubChem CID154653847
IUPAC Name1-[6-[[(1S,3S)-3-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
Molecular FormulaC20H20F2N6O2
Molecular Weight414.4
XLogP3.4
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity641
SMILES
C1C[C@@H](C[C@H]1NC2=NC=C(C=C2)N3C=CC=CC3=O)NC4=NC=C(C=N4)OC(F)F
InChI
InChI=1S/C20H20F2N6O2/c21-19(22)30-16-11-24-20(25-12-16)27-14-5-4-13(9-14)26-17-7-6-15(10-23-17)28-8-2-1-3-18(28)29/h1-3,6-8,10-14,19H,4-5,9H2,(H,23,26)(H,24,25,27)/t13-,14-/m0/s1
InChIKey
NCHUWRLOTSAFFN-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of Laroprovstat
CAS: 2455427-91-3
CID: 154653847
Formula: C20H20F2N6O2
MW: 414.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight414.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass414.16158023
Monoisotopic Mass414.16158023
Topological Polar Surface Area92.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes