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Cholesterol Pelargonate

CAT: 0804-HY-W127350-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W127350-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cholesterol Pelargonate, a Cholesterol derivative, can be used as a triggered release liposome tested[1].
CAS Number
1182-66-7
UNSPSC
12352200
Hazard Statement
H302, H361, H372, H410
Target
Liposome
Type
Biochemical Assay Reagents
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/cholesterol-pelargonate.html
Purity
95.0
Solubility
10 mM in DMSO
Smiles
CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
Molecular Formula
C36H62O2
Molecular Weight
526.88
Precautions
H302, H361, H372, H410
References & Citations
[1]Kravchenko I A, et al. Effects of cholesterol and its esters on transdermal penetration of phenazepam. Pharmaceutical chemistry journal, 2009, 43 (1) .|[2]S C Davis, et al. Cholesterol phosphate derivatives: synthesis and incorporation into a phosphatase and calcium-sensitive triggered release liposome. Bioconjug Chem. Nov-Dec 1998;9 (6) :783-92.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Cholesteryl Nonanoate
CAS Number1182-66-7
PubChem CID2723614
IUPAC Name[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate
Molecular FormulaC36H62O2
Molecular Weight526.9
XLogP12.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count38
Formal Charge0
Complexity797
SMILES
CCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI
InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1
InChIKey
WCLNGBQPTVENHV-MKQVXYPISA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl Nonanoate
CAS: 1182-66-7
CID: 2723614
Formula: C36H62O2
MW: 526.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight526.9
XLogP312.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass526.47498122
Monoisotopic Mass526.47498122
Topological Polar Surface Area26.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity797
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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