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LTI-291

CAT: 0498-bs-6538C-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6538C-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1919820-28-2
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
DMSO : 50 mg/mL (139.48 mM; Need ultrasonic)
Smiles
CCCCCO[C@@H]1CC[C@H](CC1)NC(=O)C1C=NN2C=1N=C(C)C=C2C
Molecular Formula
C20 H30 N4 O2
Molecular Weight
358.48
InChI
InChI=1S/C20H30N4O2/c1-4-5-6-11-26-17-9-7-16 (8-10-17) 23-20 (25) 18-13-21-24-15 (3) 12-14 (2) 22-19 (18) 24/h12-13,16-17H,4-11H2,1-3H3, (H,23,25) /t16-,17-
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power

Chemical Information

5,7-Dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Number1919820-28-2
PubChem CID121327414
IUPAC Name5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC20H30N4O2
Molecular Weight358.5
XLogP3.4
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity453
SMILES
CCCCCOC1CCC(CC1)NC(=O)C2=C3N=C(C=C(N3N=C2)C)C
InChI
InChI=1S/C20H30N4O2/c1-4-5-6-11-26-17-9-7-16(8-10-17)23-20(25)18-13-21-24-15(3)12-14(2)22-19(18)24/h12-13,16-17H,4-11H2,1-3H3,(H,23,25)
InChIKey
HZILSILAELSWKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS: 1919820-28-2
CID: 121327414
Formula: C20H30N4O2
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight358.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass358.23687621
Monoisotopic Mass358.23687621
Topological Polar Surface Area68.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity453
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