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Calcein tetraethyl ester

CAT: 0931-T18932-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T18932-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1170856-93-5
Target
Others
Related Pathways
Others
Purity
0.9992
Bioactivity
Calcein tetraethyl ester is a Calcein derivative and serves as an intermediate in the synthesis of Calcein AM. Calcein is a fluorescent dye and self-quenching probe, serving as an indicator of lipid vesicle leakage and a chelating indicator for EDTA calcium ion titration and fluorescent calcium ion assays.
Smiles
O=C1OC2(C3=CC=C(O)C(=C3OC=4C2=CC=C(O)C4CN(CC(=O)OCC)CC(=O)OCC)CN(CC(=O)OCC)CC(=O)OCC)C=5C=CC=CC15
Molecular Formula
C38H42N2O13
Molecular Weight
734.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Calcein tetraethyl ester
CAS Number1170856-93-5
PubChem CID91810997
IUPAC Nameethyl 2-[[5'-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(2-ethoxy-2-oxoethyl)amino]acetate
Molecular FormulaC38H42N2O13
Molecular Weight734.7
XLogP4.2
Topological Polar Surface Area188
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Heavy Atom Count53
Formal Charge0
Complexity1180
SMILES
CCOC(=O)CN(CC1=C(C=CC2=C1OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3CN(CC(=O)OCC)CC(=O)OCC)O)O)CC(=O)OCC
InChI
InChI=1S/C38H42N2O13/c1-5-48-31(43)19-39(20-32(44)49-6-2)17-24-29(41)15-13-27-35(24)52-36-25(18-40(21-33(45)50-7-3)22-34(46)51-8-4)30(42)16-14-28(36)38(27)26-12-10-9-11-23(26)37(47)53-38/h9-16,41-42H,5-8,17-22H2,1-4H3
InChIKey
AWKMLDYACNCHOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Calcein tetraethyl ester
CAS: 1170856-93-5
CID: 91810997
Formula: C38H42N2O13
MW: 734.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight734.7
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Exact Mass734.26868940
Monoisotopic Mass734.26868940
Topological Polar Surface Area188 Ų
Heavy Atom Count53
Formal Charge0
Complexity1180
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

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Alternative Products

CatalogName
MBS5755802Calcein tetraethyl ester
HY-D0830-01Calcein (tetraethyl ester)
B7755-.5Calcein AM (Calcein acetoxymethyl ester)
MBS132756-01BAPTA tetraethyl ester
22011-AATCalcein Deep Red™ AM ester
HY-W127811Ethylenediamine-N, N, N, N-tetraacetic Acid Tetraethyl Ester
011634Ethylenediamine-N, N, N’, N’-tetraacetic Acid Tetraethyl Ester
sc-391825Ethylenediamine-N, N, N′, N′-tetraacetic Acid Tetraethyl Ester
sc-2522024-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester
MBS6055200-01Ethylenediamine-N, N, N', N'-tetraacetic Acid Tetraethyl Ester

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