Loading...
Chemical structure of cis-Entacapone

GC40834

cis-Entacapone

Also known as (Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide

cis-Entacapone is a metabolite of the catechol-O-methyltransferase (COMT) inhibitor entacapone

ChemicalCAS145195-63-7MW305.3FormulaC14H15N3O5
CAS number
145195-63-7
Molecular weight
305.3
Formula
C14H15N3O5
Solubility
Dichloromethane： slightly soluble,Methanol： slightly soluble
InChIKey
JRURYQJSLYLRLN-YHYXMXQVSA-N
Catalogue number
GC40834
Brand
GLPBIO
Computed properties PubChem CID 21864625 · XLogP 2.1 · TPSA 130 Ų · H-bond donors 2
XLogP
2.1
TPSA
130 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

SMILES CCN(CC)C(=O)/C(=C\C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N

Computed descriptors from PubChem (CID 21864625), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.