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RH 421

CAT: 0931-T34313-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34313-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107610-19-5
Target
Others
Related Pathways
Others
Bioactivity
RH 421 is an amphiphilic styryl dye.
Smiles
O=S(=O)([O-])CCCC[N+]1=CC=C(C=CC=CC2=CC=C(C=C2)N(CCCCC)CCCCC)C=C1
Molecular Formula
C29H42N2O3S
Molecular Weight
498.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RH 421

structure given in first source

CAS Number107610-19-5
PubChem CID6438334
IUPAC Name4-[4-[(1E,3E)-4-[4-(dipentylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate
Molecular FormulaC29H42N2O3S
Molecular Weight498.7
XLogP7.1
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count35
Formal Charge0
Complexity662
SMILES
CCCCCN(CCCCC)C1=CC=C(C=C1)/C=C/C=C/C2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]
InChI
InChI=1S/C29H42N2O3S/c1-3-5-9-22-31(23-10-6-4-2)29-17-15-27(16-18-29)13-7-8-14-28-19-24-30(25-20-28)21-11-12-26-35(32,33)34/h7-8,13-20,24-25H,3-6,9-12,21-23,26H2,1-2H3
InChIKey
URNCTMHGJQSLOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RH 421
CAS: 107610-19-5
CID: 6438334
Formula: C29H42N2O3S
MW: 498.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.7
XLogP37.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass498.29161438
Monoisotopic Mass498.29161438
Topological Polar Surface Area72.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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