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BODIPY 493/503

CAT: 0607-A4664-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A4664-25Size:25 mg
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CAS Number
121207-31-6
Product Name Alternative
5,5-difluoro-1,3,7,9,10-pentamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine
Sequence
Pyrromethene 546; BDP 493/503 lipid stain
Purity
0.9814
Solubility
≥3.28 mg/mL in DMSO with gentle warming and ultrasonic; insoluble in EtOH; insoluble in H2O
Smiles
CC1=CC(C)=C2[N-]1[B+3]([F-])([F-])[N]3=C(C)C=C(C)C3=C2C
Molecular Formula
C14H17BF2N2
Molecular Weight
262.11
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Pyrromethene 546

structure in first source

CAS Number121207-31-6
PubChem CID14766991
IUPAC Name2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
Molecular FormulaC14H17BF2N2
Molecular Weight262.11
Topological Polar Surface Area7.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity505
SMILES
[B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C)C)C)(F)F
InChI
InChI=1S/C14H17BF2N2/c1-8-6-10(3)18-13(8)12(5)14-9(2)7-11(4)19(14)15(18,16)17/h6-7H,1-5H3
InChIKey
DRJHPEGNOPSARR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrromethene 546
CAS: 121207-31-6
CID: 14766991
Formula: C14H17BF2N2
MW: 262.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight262.11
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass262.1452850
Monoisotopic Mass262.1452850
Topological Polar Surface Area7.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity505
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