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Screening compounds

Orb3236230

CAS 28362-21-2Formula C16H14ClNO4Molar mass 319.74 g/mol
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Orb3236230 chemical structure, C16H14ClNO4, CAS 28362-21-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
28362-21-2
Formula
C16H14ClNO4
Molar mass
319.74 g/mol
HS code
293349
Category
Screening compounds

What is Orb3236230?

Plain description, key identifiers and synonyms

Orb3236230 is a chemical substance with the molecular formula C16H14ClNO4 and a molar mass of 319.74 g/mol. Its CAS registry number is 28362-21-2. The IUPAC name is 1-[(3,4-dihydroxyphenyl)methyl]isoquinoline-6,7-diol, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[(3,4-dihydroxyphenyl)methyl]isoquinoline-6,7-diol, hydrochloride
CAS number
28362-21-2
Molecular formula
C16H14ClNO4
InChIKey
XWZMNSWVSHHLJT-UHFFFAOYSA-N
InChI
InChI=1S/C16H13NO4.ClH/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12;/h1-4,6-8,18-21H,5H2;1H
SMILES (canonical and isomeric)
C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)O)O)O)O.Cl

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
319.74 g/molcalc.
Exact mass
319.0611 Dacalc.
LogP (octanol/water)
3.07calc.
Topological polar surface area
93.81 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.06calc.
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, c1ccc(Cc2nccc3ccccc23)cc1

c1ccc(Cc2nccc3ccccc23)cc1

3 rings, 17 atoms, the 1-Benzylisoquinoline ring system.

133 other chemicals share 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.

Orb3236230 suppliers

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Orb3236230 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 Orb3236230 is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3236230 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3236230, based on the data on this page

What is Orb3236230?

Orb3236230 is a chemical substance with the molecular formula C16H14ClNO4 and a molar mass of 319.74 g/mol. Its CAS registry number is 28362-21-2. The IUPAC name is 1-[(3,4-dihydroxyphenyl)methyl]isoquinoline-6,7-diol, hydrochloride.

What is the CAS number of Orb3236230?

The CAS registry number of Orb3236230 is 28362-21-2.

What is the molecular formula and weight of Orb3236230?

The molecular formula of Orb3236230 is C16H14ClNO4 and its molar mass is 319.74 g/mol.

What is Orb3236230 used for?

Known uses and roles of Orb3236230 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3236230 hazardous?

No GHS hazard classification for Orb3236230 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 Orb3236230?

Orb3236230 is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3236230?

Post a free request on CompoundList and suppliers of Orb3236230 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3236230?

Suppliers quote Orb3236230 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 Orb3236230

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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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