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VPC 24191

CAT: 0931-T68678-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T68678-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
799268-83-0
Target
Others
Related Pathways
Others
Bioactivity
VPC 24191 is a sphingosine 1-phosphate (S1P1/3) receptor agonist.
Smiles
N(C[C@@H](COP(=O)(O)O)N)C1=CC=C(CCCCCCCC)C=C1
Molecular Formula
C17H31N2O4P
Molecular Weight
358.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-2-Amino-3-((4-octylphenyl)amino)propyl dihydrogen phosphate
CAS Number799268-83-0
PubChem CID42641079
IUPAC Name[(2S)-2-amino-3-(4-octylanilino)propyl] dihydrogen phosphate
Molecular FormulaC17H31N2O4P
Molecular Weight358.4
XLogP1
Topological Polar Surface Area105
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity356
SMILES
CCCCCCCCC1=CC=C(C=C1)NC[C@@H](COP(=O)(O)O)N
InChI
InChI=1S/C17H31N2O4P/c1-2-3-4-5-6-7-8-15-9-11-17(12-10-15)19-13-16(18)14-23-24(20,21)22/h9-12,16,19H,2-8,13-14,18H2,1H3,(H2,20,21,22)/t16-/m0/s1
InChIKey
VRQMZRZONPRMOX-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-Amino-3-((4-octylphenyl)amino)propyl dihydrogen phosphate
CAS: 799268-83-0
CID: 42641079
Formula: C17H31N2O4P
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass358.20214447
Monoisotopic Mass358.20214447
Topological Polar Surface Area105 Ų
Heavy Atom Count24
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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