Products for Research Use Only
RegisterLogin

Phyllalbine

CAT: 0013-GTR19228872-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19228872-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Phyllalbine is a bioactive small molecule employed in life sciences research. It serves as a valuable tool compound for both in vitro biochemical assays and in vivo pharmacological studies, particularly in exploring natural product derivatives and their biological activities.
CAS Number
4540-25-4
Smiles
O (C (=O) C1=CC (OC) =C (O) C=C1) [C@H]2C[C@@]3 (N (C) [C@] (C2) (CC3) [H]) [H]
Molecular Formula
C16H21NO4
Molecular Weight
291.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phyllalbine

Phyllalbine is a methoxybenzoic acid.

CAS Number4540-25-4
PubChem CID443007
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate
Molecular FormulaC16H21NO4
Molecular Weight291.34
XLogP3
Topological Polar Surface Area59
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity374
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3
InChIKey
OZKTVDIYALBSMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phyllalbine
CAS: 4540-25-4
CID: 443007
Formula: C16H21NO4
MW: 291.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.34
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass291.14705815
Monoisotopic Mass291.14705815
Topological Polar Surface Area59 Ų
Heavy Atom Count21
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5790330Phyllalbine

Popular Products