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Ceplignan

CAT: 0013-GTR19228402-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228402-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ceplignan is a small molecule compound utilized in life science research. It serves as a valuable tool for both in vitro biochemical assays and in vivo pharmacological studies, particularly in investigations of cellular signaling pathways and disease models.
CAS Number
185244-78-4
Smiles
C (O) [C@H]1C=2C (O[C@@H]1C3=CC (OC) =C (O) C=C3) =C (OC) C=C (C (O) =O) C2
Molecular Formula
C18H18O7
Molecular Weight
346.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ceplignan
CAS Number185244-78-4
PubChem CID102004693
IUPAC Name(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
Molecular FormulaC18H18O7
Molecular Weight346.3
XLogP1.7
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity470
SMILES
COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)C(=O)O
InChI
InChI=1S/C18H18O7/c1-23-14-6-9(3-4-13(14)20)16-12(8-19)11-5-10(18(21)22)7-15(24-2)17(11)25-16/h3-7,12,16,19-20H,8H2,1-2H3,(H,21,22)/t12-,16+/m0/s1
InChIKey
MRHRLMTUTXWEQP-BLLLJJGKSA-N
Chemical Structure
2D Structure
2D structure of Ceplignan
CAS: 185244-78-4
CID: 102004693
Formula: C18H18O7
MW: 346.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.3
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass346.10525291
Monoisotopic Mass346.10525291
Topological Polar Surface Area105 Ų
Heavy Atom Count25
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5790989Ceplignan

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