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BMS-538203

CAT: 1410-M14950-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M14950-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A chemical intermidate of BMS-626529, a HIV-1 attachment inhibitor that targets gp120
CAS Number
543730-41-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
269.2258
Molecular Formula
C12H12FNO5
Notes
Research use only, not for human use.
Receptor
HIV

Chemical Information

(2Z)-3-{[(4-Fluorophenyl)methyl](methoxy)carbamoyl}-2-hydroxyprop-2-enoic acid
CAS Number543730-41-2
PubChem CID54706524
IUPAC Name(Z)-4-[(4-fluorophenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
Molecular FormulaC12H12FNO5
Molecular Weight269.23
XLogP1.5
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity363
SMILES
CON(CC1=CC=C(C=C1)F)C(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C12H12FNO5/c1-19-14(11(16)6-10(15)12(17)18)7-8-2-4-9(13)5-3-8/h2-6,15H,7H2,1H3,(H,17,18)/b10-6-
InChIKey
GACIOSIZKMLELV-POHAHGRESA-N
Chemical Structure
2D Structure
2D structure of (2Z)-3-{[(4-Fluorophenyl)methyl](methoxy)carbamoyl}-2-hydroxyprop-2-enoic acid
CAS: 543730-41-2
CID: 54706524
Formula: C12H12FNO5
MW: 269.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.23
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass269.06995065
Monoisotopic Mass269.06995065
Topological Polar Surface Area87.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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