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Methyl behenate

CAT: 0931-T7967-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T7967-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
929-77-1
Target
Others
Related Pathways
Others
Purity
0.98
Bioactivity
Methyl behenate is a natural compound, is an ester form of docosanoic acid .
Smiles
C(CCCCCCCCCCCCCCCC)CCCCC(OC)=O
Molecular Formula
C23H46O2
Molecular Weight
354.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl behenate

Methyl behenate is a fatty acid methyl ester.

CAS Number929-77-1
PubChem CID13584
IUPAC Namemethyl docosanoate
Molecular FormulaC23H46O2
Molecular Weight354.6
XLogP11.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Heavy Atom Count25
Formal Charge0
Complexity263
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
InChIKey
QSQLTHHMFHEFIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl behenate
CAS: 929-77-1
CID: 13584
Formula: C23H46O2
MW: 354.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.6
XLogP311.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Exact Mass354.349780706
Monoisotopic Mass354.349780706
Topological Polar Surface Area26.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity263
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
sc-215337AMethyl behenate
HY-W009082R-01Methyl behenate (Standard)
M11740-01Methyl behenate 98%
AR-F01139-01Methyl Behenate (Docosanoic Acid Methyl Ester)
CAA48905-01Silver Behenate
HY-165865Palmityl behenate
HY-W554893-01Behenate (sodium)
HY-165894Myristoleyl behenate
MBS393438-01Oleyl Behenate
MBS393437-01Behenyl Behenate

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