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Piflufolastat

CAT: 0607-BA6173-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6173-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1423758-00-2
Form
A solid
Molecular Formula
C18H23FN4O8
Molecular Weight
442.40
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C.

Chemical Information

N-((((1S)-1-Carboxy-5-(((6-fluoro-3-pyridinyl)carbonyl)amino)pentyl)amino)carbonyl)-L-glutamic acid
CAS Number1423758-00-2
PubChem CID71532123
IUPAC Name(2S)-2-[[(1S)-1-carboxy-5-[(6-fluoropyridine-3-carbonyl)amino]pentyl]carbamoylamino]pentanedioic acid
Molecular FormulaC18H23FN4O8
Molecular Weight442.4
XLogP-0.1
Topological Polar Surface Area195
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count31
Formal Charge0
Complexity662
SMILES
C1=CC(=NC=C1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F
InChI
InChI=1S/C18H23FN4O8/c19-13-6-4-10(9-21-13)15(26)20-8-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)5-7-14(24)25/h4,6,9,11-12H,1-3,5,7-8H2,(H,20,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t11-,12-/m0/s1
InChIKey
OLWVRJUNLXQDSP-RYUDHWBXSA-N
Chemical Structure
2D Structure
2D structure of N-((((1S)-1-Carboxy-5-(((6-fluoro-3-pyridinyl)carbonyl)amino)pentyl)amino)carbonyl)-L-glutamic acid
CAS: 1423758-00-2
CID: 71532123
Formula: C18H23FN4O8
MW: 442.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.4
XLogP3-0.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass442.14999187
Monoisotopic Mass442.14999187
Topological Polar Surface Area195 Ų
Heavy Atom Count31
Formal Charge0
Complexity662
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

Alternative Products

CatalogName
BUP12385-01Piflufolastat

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