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Screening compounds

NK-314

Also known as 1-Hydroxy-2-methoxy-11a,13,14,15-tetrahydro-6ah-(1,3)dioxolo(4',5':4,5)benzo(1,2-C)pyrrolo(1,2-f)phenanthridin-12-ium chloride, 1H-(1,3)Benzodioxolo(5,6-C)pyrrolo(1,2-f)phenanthridinium, 2,3-dihydro-4-hydroxy-5-methoxy-, chloride, 1H-(1,3)Benzodioxolo(5,6-C)pyrrolo(1,2-f)phenanthridinium, 2,3-dihydro-4-hydroxy-5-methoxy-, chloride (1:1)

CAS 208237-49-4Formula C22H18ClNO4Molar mass 395.84 g/mol
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NK-314 chemical structure, C22H18ClNO4, CAS 208237-49-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
208237-49-4
Formula
C22H18ClNO4
Molar mass
395.84 g/mol
HS code
293499
Category
Screening compounds

What is NK-314?

Plain description, key identifiers and synonyms

NK-314 is a chemical substance with the molecular formula C22H18ClNO4 and a molar mass of 395.84 g/mol. Its CAS registry number is 208237-49-4. The IUPAC name is 12-methoxy-5,7-dioxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,19.020,24]tetracosa-1(13),2,4(8),9,11,14,19,21,23-nonaen-15-ol chloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
12-methoxy-5,7-dioxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,19.020,24]tetracosa-1(13),2,4(8),9,11,14,19,21,23-nonaen-15-ol chloride
CAS number
208237-49-4
Molecular formula
C22H18ClNO4
UNII
BH68FXM7X8
InChIKey
BRFDCAFDRFHEKX-UHFFFAOYSA-N
InChI
InChI=1S/C22H17NO4.ClH/c1-25-19-9-12-8-17-18(27-11-26-17)10-14(12)22-21(19)20-13(4-2-6-16(20)24)15-5-3-7-23(15)22;/h3,5,7-10H,2,4,6,11H2,1H3;1H
SMILES (canonical and isomeric)
COC1=CC2=CC3=C(C=C2C4=C1C5=C(CCCC5=C6[N+]4=CC=C6)O)OCO3.[Cl-]

Synonyms

  • 1-Hydroxy-2-methoxy-11a,13,14,15-tetrahydro-6ah-(1,3)dioxolo(4',5':4,5)benzo(1,2-C)pyrrolo(1,2-f)phenanthridin-12-ium chloride
  • 1H-(1,3)Benzodioxolo(5,6-C)pyrrolo(1,2-f)phenanthridinium, 2,3-dihydro-4-hydroxy-5-methoxy-, chloride
  • 1H-(1,3)Benzodioxolo(5,6-C)pyrrolo(1,2-f)phenanthridinium, 2,3-dihydro-4-hydroxy-5-methoxy-, chloride (1:1)

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
395.84 g/molcalc.
Exact mass
395.0924 Dacalc.
LogP (octanol/water)
0.06calc.
Topological polar surface area
53.82 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
28calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.23calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (0 violations)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, C1=Cc2c3c(c4ccc5cc6c(cc5c4[n+]2=C1)OCO6)=CCCC3

C1=Cc2c3c(c4ccc5cc6c(cc5c4[n+]2=C1)OCO6)=CCCC3

6 rings, 24 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.

NK-314 suppliers

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NK-314 price

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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 NK-314 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for NK-314 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about NK-314, based on the data on this page

What is NK-314?

NK-314 is a chemical substance with the molecular formula C22H18ClNO4 and a molar mass of 395.84 g/mol. Its CAS registry number is 208237-49-4. The IUPAC name is 12-methoxy-5,7-dioxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,19.020,24]tetracosa-1(13),2,4(8),9,11,14,19,21,23-nonaen-15-ol chloride.

What is the CAS number of NK-314?

The CAS registry number of NK-314 is 208237-49-4.

What is the molecular formula and weight of NK-314?

The molecular formula of NK-314 is C22H18ClNO4 and its molar mass is 395.84 g/mol.

What is NK-314 used for?

Known uses and roles of NK-314 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is NK-314 hazardous?

No GHS hazard classification for NK-314 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 NK-314?

NK-314 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy NK-314?

Post a free request on CompoundList and suppliers of NK-314 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of NK-314?

Suppliers quote NK-314 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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