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KNT-127

CAT: 0013-GTR19199087-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199087-02Size:50 mg
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Description
KNT-127
CAS Number
1256921-89-7
Field of Research
Cell Biology, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
O[C@@]12[C@@]3 (C=4C (C[C@]1 (N (C) CC3) [H]) =CC=C (O) C4) CC=5C (C2) =CC=6C (N5) =CC=CC6
Molecular Formula
C24H24N2O2
Molecular Weight
372.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,14S,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaene-14,20-diol
CAS Number1256921-89-7
PubChem CID52942137
IUPAC Name(1R,14S,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaene-14,20-diol
Molecular FormulaC24H24N2O2
Molecular Weight372.5
XLogP3.4
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count28
Formal Charge0
Complexity628
SMILES
CN1CC[C@]23CC4=NC5=CC=CC=C5C=C4C[C@]2([C@H]1CC6=C3C=C(C=C6)O)O
InChI
InChI=1S/C24H24N2O2/c1-26-9-8-23-14-21-17(10-16-4-2-3-5-20(16)25-21)13-24(23,28)22(26)11-15-6-7-18(27)12-19(15)23/h2-7,10,12,22,27-28H,8-9,11,13-14H2,1H3/t22-,23-,24-/m1/s1
InChIKey
NFXFNBIPWUYEIM-WXFUMESZSA-N
Chemical Structure
2D Structure
2D structure of (1R,14S,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaene-14,20-diol
CAS: 1256921-89-7
CID: 52942137
Formula: C24H24N2O2
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass372.183778013
Monoisotopic Mass372.183778013
Topological Polar Surface Area56.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes