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YD23

CAT: 0127-BUP01790-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01790-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2951015-29-3
Synonyms
YD-23, YD 23
Purity
=98%
Smiles
O=C1NC(=O)C(N2C(=O)C=3C=CC=C(NCCOCCOC4=CC=C(C=C4F)CN5CCN(C=6C=C(N=NC6N)C7=CC=CC=C7O)CC5)C3C2=O)CC1

Chemical Information

4-((2-(2-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)-2-fluorophenoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS Number2951015-29-3
PubChem CID168264923
IUPAC Name4-[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]-2-fluorophenoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC38H39FN8O7
Molecular Weight738.8
XLogP2.6
Topological Polar Surface Area193
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Heavy Atom Count54
Formal Charge0
Complexity1320
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOC4=C(C=C(C=C4)CN5CCN(CC5)C6=CC(=NN=C6N)C7=CC=CC=C7O)F
InChI
InChI=1S/C38H39FN8O7/c39-26-20-23(22-45-13-15-46(16-14-45)30-21-28(43-44-35(30)40)24-4-1-2-7-31(24)48)8-10-32(26)54-19-18-53-17-12-41-27-6-3-5-25-34(27)38(52)47(37(25)51)29-9-11-33(49)42-36(29)50/h1-8,10,20-21,29,41,48H,9,11-19,22H2,(H2,40,44)(H,42,49,50)
InChIKey
DMUYROJVOXZRNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((2-(2-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)-2-fluorophenoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS: 2951015-29-3
CID: 168264923
Formula: C38H39FN8O7
MW: 738.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight738.8
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Exact Mass738.29257377
Monoisotopic Mass738.29257377
Topological Polar Surface Area193 Ų
Heavy Atom Count54
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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