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Lavendustin B

CAT: 0013-GTR19160835-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160835-02Size:500 mg
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Description
Lavendustin B is a Tyrosine Kinase Inhibitor amd an inhibitor of HIV-1 integrase (IN) interaction with its cognate cellular cofactor, lens epithelium-derived growth factor (LEDGF/p75) .
CAS Number
125697-91-8
Product Name Alternative
Lavendustin B
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (136.84 mM)
Smiles
O=C (O) c1cc (N (Cc2ccccc2O) Cc2ccccc2O) ccc1O
Molecular Formula
C21H19NO5
Molecular Weight
365.39
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
5-[Bis[ (2-hydroxyphenyl) methyl]amino]-2-hydroxy-benzoic Acid

Chemical Information

Lavendustin B

Lavendustin B is an aromatic amine.

CAS Number125697-91-8
PubChem CID3895
IUPAC Name5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
Molecular FormulaC21H19NO5
Molecular Weight365.4
XLogP4
Topological Polar Surface Area101
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity463
SMILES
C1=CC=C(C(=C1)CN(CC2=CC=CC=C2O)C3=CC(=C(C=C3)O)C(=O)O)O
InChI
InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)
InChIKey
RTYOLBQXFXYMKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lavendustin B
CAS: 125697-91-8
CID: 3895
Formula: C21H19NO5
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP34
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass365.12632271
Monoisotopic Mass365.12632271
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity463
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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