Products for Research Use Only
RegisterLogin

IIIM-290 100mg

CAT: 0628-A19222-100Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A19222-100Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2213468-64-3

Chemical Information

2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
CAS Number2213468-64-3
PubChem CID137628639
IUPAC Name2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
Molecular FormulaC23H21Cl2NO5
Molecular Weight462.3
XLogP4.5
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity721
SMILES
CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)/C=C/C4=C(C=CC=C4Cl)Cl)O)O
InChI
InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
InChIKey
NFTJDXGFOUFNKG-UGBNQVSOSA-N
Chemical Structure
2D Structure
2D structure of 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
CAS: 2213468-64-3
CID: 137628639
Formula: C23H21Cl2NO5
MW: 462.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.3
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass461.0796782
Monoisotopic Mass461.0796782
Topological Polar Surface Area90.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity721
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A19222-25IIIM-290 25mg
A19222-1IIIM-290 1mg
A19222-50IIIM-290 50mg
A19222-10IIIM-290 10mg
A19222-5IIIM-290 5mg
A20008-100ML-290 100mg
A20008-5ML-290 5mg
A20008-50ML-290 50mg
A20008-10ML-290 10mg
A20008-25ML-290 25mg

Alternative Products

CatalogName
MBS5766845IIIM-290
GTR19273239-01IIIM-1266
T79378-01IIIM-8
BUP23761-01IIIM-1270
BA5811-5ML-290
527466CLP-290
MBS5764893BGB-290
M10775-01ARA-290
CY015CYANElite 290

Popular Products