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BAPTA-TMFM

CAT: 0931-T82922-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82922-01Size:5 mg
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CAS Number
96315-11-6
Target
Others
Related Pathways
Others
Bioactivity
BAPTA-TMFM is a fluorescent chelator employed to investigate cytosolic free calcium's function.
Smiles
O=CC1=CC=C(C(OCCOC2=CC(=CC=C2N(CC(=O)OC)CC(=O)OC)C)=C1)N(CC(=O)OC)CC(=O)OC
Molecular Formula
C28H34N2O11
Molecular Weight
574.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bapta-tmfm
CAS Number96315-11-6
PubChem CID2735438
IUPAC Namemethyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-4-methylanilino]acetate
Molecular FormulaC28H34N2O11
Molecular Weight574.6
XLogP3.3
Topological Polar Surface Area147
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count20
Heavy Atom Count41
Formal Charge0
Complexity834
SMILES
CC1=CC(=C(C=C1)N(CC(=O)OC)CC(=O)OC)OCCOC2=C(C=CC(=C2)C=O)N(CC(=O)OC)CC(=O)OC
InChI
InChI=1S/C28H34N2O11/c1-19-6-8-21(29(14-25(32)36-2)15-26(33)37-3)23(12-19)40-10-11-41-24-13-20(18-31)7-9-22(24)30(16-27(34)38-4)17-28(35)39-5/h6-9,12-13,18H,10-11,14-17H2,1-5H3
InChIKey
GKTVRWOCZLYLJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bapta-tmfm
CAS: 96315-11-6
CID: 2735438
Formula: C28H34N2O11
MW: 574.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight574.6
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count20
Exact Mass574.21625990
Monoisotopic Mass574.21625990
Topological Polar Surface Area147 Ų
Heavy Atom Count41
Formal Charge0
Complexity834
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