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Bavachin

CAT: 0013-GTR19170752-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170752-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bavachin
CAS Number
19879-32-4
Product Name Alternative
Estrogen Receptor/ERR, EstrogenReceptor, Estrogen Receptor, ERR, ERα, ERβ, Inhibitor, inhibit, Corylifolin, Bavachin, progestogen Receptor, progestogenReceptor
Field of Research
Metabolism Research
Purity
99.90% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.17 mM) ; DMSO:58 mg/mL (178.81 mM) ; Chloroform, Dichloromethane, Ethyl Acetate:Soluble
Smiles
CC (C) =CCc1cc2C (=O) C[C@H] (Oc2cc1O) c1ccc (O) cc1
Molecular Formula
C20H20O4
Molecular Weight
324.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bavachin

(2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one has been reported in Lespedeza floribunda, Lespedeza cyrtobotrya, and other organisms with data available.

CAS Number19879-32-4
PubChem CID14236566
IUPAC Name(2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Molecular FormulaC20H20O4
Molecular Weight324.4
XLogP4.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity474
SMILES
CC(=CCC1=CC2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1
InChIKey
OAUREGNZECGNQS-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Bavachin
CAS: 19879-32-4
CID: 14236566
Formula: C20H20O4
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass324.13615911
Monoisotopic Mass324.13615911
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity474
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

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