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S1p receptor agonist 2

CAT: 0013-GTR19186084-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186084-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S1p receptor agonist 2
CAS Number
1354908-17-0
Field of Research
Pharmacology & Drug Discovery
Smiles
C (O) (=O) [C@H]1C[C@@H] (N2CC3=C (OC (=N3) C4=CC=C (OCC5=CC=C (Cl) C=C5) C=C4) CC2) C1
Molecular Formula
C24H23ClN2O4
Molecular Weight
438.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

S1p receptor agonist 2
CAS Number1354908-17-0
PubChem CID155273546
IUPAC Name3-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]cyclobutane-1-carboxylic acid
Molecular FormulaC24H23ClN2O4
Molecular Weight438.9
XLogP1.8
Topological Polar Surface Area75.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity615
SMILES
C1CN(CC2=C1OC(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5CC(C5)C(=O)O
InChI
InChI=1S/C24H23ClN2O4/c25-18-5-1-15(2-6-18)14-30-20-7-3-16(4-8-20)23-26-21-13-27(10-9-22(21)31-23)19-11-17(12-19)24(28)29/h1-8,17,19H,9-14H2,(H,28,29)
InChIKey
PTGQUSXMUAISKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S1p receptor agonist 2
CAS: 1354908-17-0
CID: 155273546
Formula: C24H23ClN2O4
MW: 438.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.9
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass438.1346349
Monoisotopic Mass438.1346349
Topological Polar Surface Area75.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity615
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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