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CGP48369

CAT: 0127-BUP21605-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21605-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135689-23-5
MDL Number
MFCD31382153
Purity
=98%
Smiles
C(C1=CC=C(C2=C(C=CC=C2)C=3NN=NN3)C=C1)C4=C(CCCC)NC(CCCC)=NC4=O

Chemical Information

Cgp 48369

a nonpeptide angiotensin II receptor antagonist

CAS Number135689-23-5
PubChem CID135423125
IUPAC Name2,4-dibutyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrimidin-6-one
Molecular FormulaC26H30N6O
Molecular Weight442.6
XLogP5.1
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity712
SMILES
CCCCC1=C(C(=O)NC(=N1)CCCC)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4
InChI
InChI=1S/C26H30N6O/c1-3-5-11-23-22(26(33)28-24(27-23)12-6-4-2)17-18-13-15-19(16-14-18)20-9-7-8-10-21(20)25-29-31-32-30-25/h7-10,13-16H,3-6,11-12,17H2,1-2H3,(H,27,28,33)(H,29,30,31,32)
InChIKey
UKEZYWUWLICNPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cgp 48369
CAS: 135689-23-5
CID: 135423125
Formula: C26H30N6O
MW: 442.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass442.24810960
Monoisotopic Mass442.24810960
Topological Polar Surface Area95.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity712
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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A19745-1CGP48369 1mg
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A19745-5CGP48369 5mg

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