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KW-2478 50mg

CAT: 0628-A11195-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A11195-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
819812-04-9

Chemical Information

KW-2478 free base
CAS Number819812-04-9
PubChem CID23116322
IUPAC Name2-[2-ethyl-3,5-dihydroxy-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)benzoyl]phenyl]-N,N-bis(2-methoxyethyl)acetamide
Molecular FormulaC30H42N2O9
Molecular Weight574.7
XLogP2.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Heavy Atom Count41
Formal Charge0
Complexity773
SMILES
CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)OCCN3CCOCC3)OC)CC(=O)N(CCOC)CCOC
InChI
InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3
InChIKey
VFUXSYAXEKYYMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KW-2478 free base
CAS: 819812-04-9
CID: 23116322
Formula: C30H42N2O9
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Exact Mass574.28903092
Monoisotopic Mass574.28903092
Topological Polar Surface Area127 Ų
Heavy Atom Count41
Formal Charge0
Complexity773
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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