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Compound Fr14357

CAT: 0931-Fr14357-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14357-01Size:100 mg
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CAS Number
1241383-43-6
Bioactivity
Compound Fr14357, with CAS No. 1241383-43-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14357 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
N[C@@H](CSCc1c(F)cccc1Cl)C(O)=O
Molecular Formula
C10H11ClFNO2S
Molecular Weight
263.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2R)-2-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]propanoic acid
CAS Number1241383-43-6
PubChem CID6929282
IUPAC Name(2R)-2-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]propanoic acid
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72
XLogP-0.5
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity245
SMILES
C1=CC(=C(C(=C1)Cl)CSC[C@@H](C(=O)O)N)F
InChI
InChI=1S/C10H11ClFNO2S/c11-7-2-1-3-8(12)6(7)4-16-5-9(13)10(14)15/h1-3,9H,4-5,13H2,(H,14,15)/t9-/m0/s1
InChIKey
YLPXMVYJOKWKMN-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]propanoic acid
CAS: 1241383-43-6
CID: 6929282
Formula: C10H11ClFNO2S
MW: 263.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.72
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass263.0183056
Monoisotopic Mass263.0183056
Topological Polar Surface Area88.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr14352-01Compound Fr14352
Fr14307-01Compound Fr14307
Fr14557-01Compound Fr14557
Fr14317-01Compound Fr14317
Fr14351-01Compound Fr14351
Fr14377-01Compound Fr14377
Fr14354-01Compound Fr14354
Fr14356-01Compound Fr14356
Fr14355-01Compound Fr14355
Fr14367-01Compound Fr14367

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