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Chemical structure of Neochlorogenic acid methyl ester

GF05704

Neochlorogenic acid methyl ester

Also known as methyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate

Neochlorogenic acid methyl ester is a compound with anti-HBV activity

ChemicalCAS123410-65-1MW368.34FormulaC17H20O9
CAS number
123410-65-1
Molecular weight
368.34
Formula
C17H20O9
Solubility
DMSO： 55 mg/mL (149·32 mM)
InChIKey
MZNIJRAPCCELQX-NYCIAPANSA-N
Catalogue number
GF05704
Brand
GLPBIO
Computed properties PubChem CID 46230348 · XLogP -0.1 · TPSA 154 Ų · H-bond donors 5
XLogP
-0.1
TPSA
154 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
26

SMILES COC(=O)[C@]1(C[C@H]([C@@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O

Computed descriptors from PubChem (CID 46230348), 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
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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