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Screening compounds

Hepronicate

Also known as Megrin, Hepronicato, Hepronicatum

CAS 7237-81-2Formula C28H31N3O6Molar mass 505.57 g/mol
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Hepronicate chemical structure, C28H31N3O6, CAS 7237-81-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7237-81-2
Formula
C28H31N3O6
Molar mass
505.57 g/mol
HS code
293339
Category
Screening compounds

What is Hepronicate?

Plain description, key identifiers and synonyms

Hepronicate is an organic molecular entity.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate
CAS number
7237-81-2 CAS number cross-checked
Molecular formula
C28H31N3O6
UNII
E4RK86FAVR
InChIKey
GUIBJJJLGSYNKE-UHFFFAOYSA-N
InChI
InChI=1S/C28H31N3O6/c1-2-3-4-5-12-28(19-35-25(32)22-9-6-13-29-16-22,20-36-26(33)23-10-7-14-30-17-23)21-37-27(34)24-11-8-15-31-18-24/h6-11,13-18H,2-5,12,19-21H2,1H3
SMILES (canonical and isomeric)
CCCCCCC(COC(=O)C1=CN=CC=C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3

Synonyms

  • Megrin
  • Hepronicato
  • Hepronicatum
  • 2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate
  • 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol trinicotinate
  • Hepronicat
  • CLY 115
  • 2-Hydroxymethyl-2-hexyl-1,3-propanediol trinicotinate
  • Megrin (TN)
  • Hepronicate (JAN/INN)
  • NICOTINIC ACID, TRIESTER with 2-HEXYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL
  • 3-Pyridinecarboxylic acid, 2-hexyl-2-(((3-pyridinecarbonyl)oxy)methyl)-1,3-propanediyl ester
  • 2,2-Bis{[(pyridine-3-carbonyl)oxy]methyl}octyl pyridine-3-carboxylate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
505.57 g/molcalc.
Exact mass
505.2213 Dacalc.
LogP (octanol/water)
4.7calc.
Topological polar surface area
117.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
14calc.
Heavy atoms
37calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(OCC(COC(=O)c1cccnc1)COC(=O)c1cccnc1)c1cccnc1

O=C(OCC(COC(=O)c1cccnc1)COC(=O)c1cccnc1)c1cccnc1

3 rings, 31 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Hepronicate suppliers

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Hepronicate price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hepronicate is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Hepronicate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hepronicate, based on the data on this page

What is Hepronicate?

Hepronicate is an organic molecular entity.

What is the CAS number of Hepronicate?

The CAS registry number of Hepronicate is 7237-81-2.

What is the molecular formula and weight of Hepronicate?

The molecular formula of Hepronicate is C28H31N3O6 and its molar mass is 505.57 g/mol.

What is Hepronicate used for?

Known uses and roles of Hepronicate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Hepronicate hazardous?

No GHS hazard classification for Hepronicate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Hepronicate?

Hepronicate is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hepronicate?

Post a free request on CompoundList and suppliers of Hepronicate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Hepronicate?

Suppliers quote Hepronicate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Hepronicate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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