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Ro-24-0238 100mg

CAT: 0628-A20719-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A20719-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120555-31-9

Chemical Information

Ro 24-0238

PAF antagonist

CAS Number120555-31-9
PubChem CID6439060
IUPAC Name(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide
Molecular FormulaC27H36N2O2
Molecular Weight420.6
XLogP7
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Heavy Atom Count31
Formal Charge0
Complexity549
SMILES
CCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCC1=CN=CC=C1)/C2=CC=C(C=C2)OC
InChI
InChI=1S/C27H36N2O2/c1-4-5-6-13-24(25-16-18-26(31-3)19-17-25)14-8-15-27(30)29-22(2)10-7-11-23-12-9-20-28-21-23/h8-9,12,14-22H,4-7,10-11,13H2,1-3H3,(H,29,30)/b15-8+,24-14+/t22-/m1/s1
InChIKey
HLCHRSFXEXAMLU-YDQNRGGDSA-N
Chemical Structure
2D Structure
2D structure of Ro 24-0238
CAS: 120555-31-9
CID: 6439060
Formula: C27H36N2O2
MW: 420.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.6
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass420.277678395
Monoisotopic Mass420.277678395
Topological Polar Surface Area51.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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