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BODIPY 630/650X

CAT: 0127-PC1001353Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC1001353Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
380367-48-6
Purity
=95%
Smiles
O=C(CCCCCNC(COC1=CC=C(/C=C/C2=CC=C3C=C4C=CC(C5=CC=CS5)=[N]4[B+3]([F-])([N-]23)[F-])C=C1)=O)ON6C(CCC6=O)=O

Chemical Information

BDP 630/650 X NHS ester

BODIPY 630/650-X is a pyrrolidinone and a BODIPY dye. It has a role as a fluorochrome. It is functionally related to a 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene.

CAS Number380367-48-6
PubChem CID25164049
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanoate
Molecular FormulaC33H31BF2N4O6S
Molecular Weight660.5
Topological Polar Surface Area138
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count47
Formal Charge0
Complexity1350
SMILES
[B-]1(N2C(=CC=C2/C=C/C3=CC=C(C=C3)OCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C=C5[N+]1=C(C=C5)C6=CC=CS6)(F)F
InChI
InChI=1S/C33H31BF2N4O6S/c35-34(36)38-24(11-12-25(38)21-26-13-16-28(39(26)34)29-5-4-20-47-29)10-7-23-8-14-27(15-9-23)45-22-30(41)37-19-3-1-2-6-33(44)46-40-31(42)17-18-32(40)43/h4-5,7-16,20-21H,1-3,6,17-19,22H2,(H,37,41)/b10-7+
InChIKey
TZBGLTNFAMQEEZ-JXMROGBWSA-N
Chemical Structure
2D Structure
2D structure of BDP 630/650 X NHS ester
CAS: 380367-48-6
CID: 25164049
Formula: C33H31BF2N4O6S
MW: 660.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight660.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass660.2025424
Monoisotopic Mass660.2025424
Topological Polar Surface Area138 Ų
Heavy Atom Count47
Formal Charge0
Complexity1350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BIPG2152-01BDP 630/650 hydrazide
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BIPG1953-01BDP 630/650 alkyne
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BIPG2140-01BDP 630/650 azide
BIPG2139-01BDP 630/650 carboxylic acid
PC108655-01Bodipy-Fl
BUP23648-01STY-BODIPY
BUP03002-01BODIPY-FL
PC110849BODIPY-C12

Alternative Products

CatalogName
T82844-01BODIPY 630/650X
574582BODIPY 630/650X succinimide ester
GTR19346251-01BODIPY 630-X
T22844-01HX 630
HY-162378LT-630
B2248-5ND-630
sc-200365CAM-630
254606-01AM 630
MBS131779ND-630,
576414HX-630

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