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Ahc 52

CAT: 0013-GTR19195829-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195829-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ahc 52
CAS Number
119666-09-0
Smiles
O=C (OC) C1=C (NC (=C (C (=O) OCCN (C) CC=2C=CC=CC2) C1C=3C (=NN4C=CC=CC34) C (C) C) C) C
Molecular Formula
C30H36N4O4
Molecular Weight
516.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ahc 52

structure given in first source

CAS Number119666-09-0
PubChem CID164115
IUPAC Name5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC30H36N4O4
Molecular Weight516.6
XLogP4.4
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity923
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=C4C=CC=CN4N=C3C(C)C)C(=O)OC
InChI
InChI=1S/C30H36N4O4/c1-19(2)28-26(23-14-10-11-15-34(23)32-28)27-24(29(35)37-6)20(3)31-21(4)25(27)30(36)38-17-16-33(5)18-22-12-8-7-9-13-22/h7-15,19,27,31H,16-18H2,1-6H3
InChIKey
SCUPIRGJNHINID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ahc 52
CAS: 119666-09-0
CID: 164115
Formula: C30H36N4O4
MW: 516.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.6
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass516.27365564
Monoisotopic Mass516.27365564
Topological Polar Surface Area85.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity923
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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