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BD140 [for Albumin binding assay]

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BD140 [for Albumin binding assay]

BD140 [for Albumin binding assay] | 1201643-08-4

Catalog Number F01-0255
Category BODIPY
Molecular Formula C21H21BF2N2O
Molecular Weight 366.22
Catalog Number Size Price Quantity
F01-0255 100 mg $819
F01-0255 1 g $3599

Chemical Information

Synonyms 2,2-difluoro-6-methyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene; 4,4-Difluoro-1-methyl-3-(4-propoxystyryl)-4-bora-3a,4a-diaza-s-indacene; (E)-5,5-Difluoro-1-methyl-3-(4-propoxystyryl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine
Purity >98.0% by GC
IUPAC Name 2,2-difluoro-6-methyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
Canonical SMILES [B-]1(N2C(=CC(=C2C=C3[N+]1=CC=C3)C)C=CC4=CC=C(C=C4)OCCC)(F)F
InChI InChI=1S/C21H21BF2N2O/c1-3-13-27-20-10-7-17(8-11-20)6-9-19-14-16(2)21-15-18-5-4-12-25(18)22(23,24)26(19)21/h4-12,14-15H,3,13H2,1-2H3/b9-6+
InChI Key NDQRWYKJLFZGBK-RMKNXTFCSA-N
Appearance Solid
Melting Point 155 °C
  • Product Specification
Maximum Absorption Wavelength 565(CH2Cl2) nm
Condition To Avoid Light Sensitive
Signal Warning
GHS Hazard Statements H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties

Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 366.1714998 g/mol
Monoisotopic Mass 366.1714998 g/mol
Topological Polar Surface Area 17.2Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 680
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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