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Screening compounds

2-Bromo codeine

Also known as Codeine, 2-bromo-, (4a,6a)-2-Bromo-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorpholin-6-ol,

CAS 898286-95-8Formula C18H20BrNO3Molar mass 378.27 g/mol
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2-Bromo codeine chemical structure, C18H20BrNO3, CAS 898286-95-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
898286-95-8
Formula
C18H20BrNO3
Molar mass
378.27 g/mol
HS code
293499
Category
Screening compounds

What is 2-Bromo codeine?

Plain description, key identifiers and synonyms

2-Bromo codeine is a chemical substance with the molecular formula C18H20BrNO3 and a molar mass of 378.27 g/mol. Its CAS registry number is 898286-95-8. The IUPAC name is (4R,4aR,7S,7aR,12bS)-10-bromo-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aR,7S,7aR,12bS)-10-bromo-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CAS number
898286-95-8
Molecular formula
C18H20BrNO3
InChIKey
DEJSCWNUDGBAHL-PPCNUZDGSA-N
InChI
InChI=1S/C18H20BrNO3/c1-20-6-5-18-10-3-4-13(21)17(18)23-16-14(18)9(8-12(10)20)7-11(19)15(16)22-2/h3-4,7,10,12-13,17,21H,5-6,8H2,1-2H3/t10-,12+,13-,17-,18-/m0/s1
Canonical SMILES
COc1c(Br)cc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341
Isomeric SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=CC(=C(C(=C52)O[C@H]3[C@H](C=C4)O)OC)Br

Synonyms

  • Codeine, 2-bromo-
  • (4a,6a)-2-Bromo-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorpholin-6-ol,

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
378.27 g/molcalc.
Exact mass
377.0627 Dacalc.
LogP (octanol/water)
2.26calc.
Topological polar surface area
41.93 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
5calc.
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=CC2C3Cc4cccc5c4C2(CCN3)C(C1)O5

C1=CC2C3Cc4cccc5c4C2(CCN3)C(C1)O5

5 rings, 18 atoms.

246 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.

2-Bromo codeine suppliers

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2-Bromo codeine price

Indicative price range per kg from live supplier offers

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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 2-Bromo codeine 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 2-Bromo codeine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Bromo codeine, based on the data on this page

What is 2-Bromo codeine?

2-Bromo codeine is a chemical substance with the molecular formula C18H20BrNO3 and a molar mass of 378.27 g/mol. Its CAS registry number is 898286-95-8. The IUPAC name is (4R,4aR,7S,7aR,12bS)-10-bromo-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol.

What is the CAS number of 2-Bromo codeine?

The CAS registry number of 2-Bromo codeine is 898286-95-8.

What is the molecular formula and weight of 2-Bromo codeine?

The molecular formula of 2-Bromo codeine is C18H20BrNO3 and its molar mass is 378.27 g/mol.

What is 2-Bromo codeine used for?

Known uses and roles of 2-Bromo codeine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2-Bromo codeine hazardous?

No GHS hazard classification for 2-Bromo codeine 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 2-Bromo codeine?

2-Bromo codeine 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 2-Bromo codeine?

Post a free request on CompoundList and suppliers of 2-Bromo codeine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2-Bromo codeine?

Suppliers quote 2-Bromo codeine 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 2-Bromo codeine

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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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