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BNS-22

CAT: 0013-GTR19186813-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186813-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BNS-22
CAS Number
1151668-24-4
Product Name Alternative
BNS 22, BNS22
Field of Research
Cancer Biology, Molecular Biology
Purity
99.62% (May vary between batches)
Solubility
DMSO:40 mg/mL (98.17 mM)
Smiles
O=C1OC=2C (=C (OC) C=C (OC) C2C (=C1) CCC) C (=O) N3C=4C=CC=CC4CCC3
Molecular Formula
C24H25NO5
Molecular Weight
407.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bns-22

has antineoplastic activity; structure in first source

CAS Number1151668-24-4
PubChem CID25265819
IUPAC Name8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one
Molecular FormulaC24H25NO5
Molecular Weight407.5
XLogP4.2
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity677
SMILES
CCCC1=CC(=O)OC2=C1C(=CC(=C2C(=O)N3CCCC4=CC=CC=C43)OC)OC
InChI
InChI=1S/C24H25NO5/c1-4-8-16-13-20(26)30-23-21(16)18(28-2)14-19(29-3)22(23)24(27)25-12-7-10-15-9-5-6-11-17(15)25/h5-6,9,11,13-14H,4,7-8,10,12H2,1-3H3
InChIKey
LRPUQCTZOSTSGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bns-22
CAS: 1151668-24-4
CID: 25265819
Formula: C24H25NO5
MW: 407.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass407.17327290
Monoisotopic Mass407.17327290
Topological Polar Surface Area65.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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