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Heterocyclic compounds

Bromaleate

Also known as Neoparbrom, Neopyrapar, Neobromth

CAS 7460-15-3Formula C43H63Br2N13O11Molar mass 1,097.87 g/mol
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Bromaleate chemical structure, C43H63Br2N13O11, CAS 7460-15-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7460-15-3
Formula
C43H63Br2N13O11
Molar mass
1,097.87 g/mol
HS code
293339
Category
Heterocyclic compounds

What is Bromaleate?

Plain description, key identifiers and synonyms

Bromaleate is a chemical substance with the molecular formula C43H63Br2N13O11 and a molar mass of 1,097.87 g/mol. Its CAS registry number is 7460-15-3. The IUPAC name is bis(2-amino-2-methylpropan-1-ol), bis(8-bromo-1,3-dimethyl-7H-purine-2,6-dione), (Z)-but-2-enedioic acid, N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis(2-amino-2-methylpropan-1-ol), bis(8-bromo-1,3-dimethyl-7H-purine-2,6-dione), (Z)-but-2-enedioic acid, N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CAS number
7460-15-3
Molecular formula
C43H63Br2N13O11
UNII
QFC5BM98OO
InChIKey
WQDAZEVNOKYARY-TUXKUCLYSA-N
InChI
InChI=1S/C17H23N3O.2C7H7BrN4O2.2C4H11NO.C4H4O4/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;2*1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;2*1-4(2,5)3-6;5-3(6)1-2-4(7)8/h4-11H,12-14H2,1-3H3;2*1-2H3,(H,9,10);2*6H,3,5H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;;;;2-1-
Canonical SMILES
CC(C)(N)CO.CC(C)(N)CO.COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O.O=C(O)C=CC(=O)O
Isomeric SMILES
CC(C)(CO)N.CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br.CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O

Synonyms

  • Neoparbrom
  • Neopyrapar
  • Neobromth

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
1,097.87 g/molcalc.
Exact mass
1,095.3137 Dacalc.
LogP (octanol/water)
1.25calc.
Topological polar surface area
341.1 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
11calc.
Heavy atoms
69calc.
Rings
6calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
6calc.
Lipinski rule of five
Fails (3 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(CNc2ccccn2)cc1

c1ccc(CNc2ccccn2)cc1

2 rings, 14 atoms, the 2-(Benzylamino)pyridine ring system.

753 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.

Bromaleate suppliers

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Bromaleate 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Bromaleate?

Bromaleate is a chemical substance with the molecular formula C43H63Br2N13O11 and a molar mass of 1,097.87 g/mol. Its CAS registry number is 7460-15-3.

What is the CAS number of Bromaleate?

The CAS registry number of Bromaleate is 7460-15-3.

What is the molecular formula and weight of Bromaleate?

The molecular formula of Bromaleate is C43H63Br2N13O11 and its molar mass is 1,097.87 g/mol.

Is Bromaleate hazardous?

No GHS hazard classification for Bromaleate 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 Bromaleate?

Bromaleate 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 Bromaleate?

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What is the price of Bromaleate?

Suppliers quote Bromaleate 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 Bromaleate

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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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