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BCI-137

CAT: 0013-GTR19174970-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174970-01Size:1 mg
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Description
BCI-137
CAS Number
112170-24-8
Product Name Alternative
BCI 137, BCI137, BCI-137
Purity
95.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.38 mM) ; DMSO:140 mg/mL (446.87 mM)
Smiles
S (NC (C (O) =O) C) (=O) (=O) C=1C=C2C (=CC1) NC (=O) C (=O) N2
Molecular Formula
C11H11N3O6S
Molecular Weight
313.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid
CAS Number112170-24-8
PubChem CID3157172
IUPAC Name2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]propanoic acid
Molecular FormulaC11H11N3O6S
Molecular Weight313.29
XLogP-0.6
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity569
SMILES
CC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)NC(=O)C(=O)N2
InChI
InChI=1S/C11H11N3O6S/c1-5(11(17)18)14-21(19,20)6-2-3-7-8(4-6)13-10(16)9(15)12-7/h2-5,14H,1H3,(H,12,15)(H,13,16)(H,17,18)
InChIKey
VMSRTLYZOWBBFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid
CAS: 112170-24-8
CID: 3157172
Formula: C11H11N3O6S
MW: 313.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.29
XLogP3-0.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass313.03685625
Monoisotopic Mass313.03685625
Topological Polar Surface Area150 Ų
Heavy Atom Count21
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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