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RG-12525

CAT: 0607-BA4464-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4464-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120128-20-3
Form
A solid
Molecular Formula
C25H21N5O2
Molecular Weight
423.47
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

2-((4-((2-(2H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline

leukotriene D4 antagonist; structure in first source

CAS Number120128-20-3
PubChem CID129044
IUPAC Name2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
Molecular FormulaC25H21N5O2
Molecular Weight423.5
XLogP4.7
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity558
SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=CC=CC=C4CC5=NNN=N5
InChI
InChI=1S/C25H21N5O2/c1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21/h1-14H,15-17H2,(H,27,28,29,30)
InChIKey
JELDFLOBXROBFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-((2-(2H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline
CAS: 120128-20-3
CID: 129044
Formula: C25H21N5O2
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass423.16952493
Monoisotopic Mass423.16952493
Topological Polar Surface Area85.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity558
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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