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Eicosanyl caffeate

CAT: 0013-GTR19181576Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181576Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Eicosanyl caffeate is a research compound with demonstrated anti-ulcer and moderate antioxidant properties. It acts as a potent elastase inhibitor, exhibiting an IC50 of 0.99 μg/mL, making it relevant for studies in inflammation, dermatology, and connective tissue disorders in both in vitro and in vivo research contexts.
CAS Number
28593-90-0
Smiles
CCCCCCCCCCCCCCCCCCCCOC (=O) \C=C\c1ccc (O) c (O) c1
Molecular Formula
C29H48O4
Molecular Weight
460.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Eicosanyl caffeate

Eicosanyl caffeate is a hydroxycinnamic acid.

CAS Number28593-90-0
PubChem CID5320238
IUPAC Nameicosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC29H48O4
Molecular Weight460.7
XLogP12.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count22
Heavy Atom Count33
Formal Charge0
Complexity476
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)23-21-26-20-22-27(30)28(31)25-26/h20-23,25,30-31H,2-19,24H2,1H3/b23-21+
InChIKey
LTSJTDDQUOUKJT-XTQSDGFTSA-N
Chemical Structure
2D Structure
2D structure of Eicosanyl caffeate
CAS: 28593-90-0
CID: 5320238
Formula: C29H48O4
MW: 460.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.7
XLogP312.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count22
Exact Mass460.35526001
Monoisotopic Mass460.35526001
Topological Polar Surface Area66.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity476
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

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