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Heterocyclic building blocks

(-)-Hexobarbital

Also known as Hexobarbital, (R)-, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, (R)-, Barbituric acid, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, (-)-

CAS 7245-06-9Formula C12H16N2O3Molar mass 236.27 g/mol
Prohibited, not for trade
Why it is not for trade
(-)-Hexobarbital chemical structure, C12H16N2O3, CAS 7245-06-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7245-06-9
Formula
C12H16N2O3
Molar mass
236.27 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is (-)-Hexobarbital?

Plain description, key identifiers and synonyms

(-)-Hexobarbital is a chemical substance with the molecular formula C12H16N2O3 and a molar mass of 236.27 g/mol. Its CAS registry number is 7245-06-9. The IUPAC name is (5R)-5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R)-5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
CAS number
7245-06-9
Molecular formula
C12H16N2O3
UNII
2W269W7T9K
InChIKey
UYXAWHWODHRRMR-GFCCVEGCSA-N
InChI
InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)/t12-/m1/s1
Canonical SMILES
CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O
Isomeric SMILES
C[C@]1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2

Synonyms

  • Hexobarbital, (R)-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, (R)-
  • Barbituric acid, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, (-)-
  • (-)-5-(1-Cyclohexen-1-yl)-1,5-dimethylbarbituric acid
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, (5R)-

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
236.27 g/molcalc.
Exact mass
236.1161 Dacalc.
LogP (octanol/water)
1.2calc.
Topological polar surface area
66.48 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C1NC(=O)C(C2=CCCCC2)C(=O)N1

O=C1NC(=O)C(C2=CCCCC2)C(=O)N1

2 rings, 15 atoms.

17 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.

(-)-Hexobarbital suppliers

Trading restrictions apply to this substance

Controlled or monitored substance

(-)-Hexobarbital is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Our policy on controlled substances

(-)-Hexobarbital price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

Controlled or monitored substance

(-)-Hexobarbital is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code (-)-Hexobarbital is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about (-)-Hexobarbital, based on the data on this page

What is (-)-Hexobarbital?

(-)-Hexobarbital is a chemical substance with the molecular formula C12H16N2O3 and a molar mass of 236.27 g/mol. Its CAS registry number is 7245-06-9. The IUPAC name is (5R)-5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione.

What is the CAS number of (-)-Hexobarbital?

The CAS registry number of (-)-Hexobarbital is 7245-06-9.

What is the molecular formula and weight of (-)-Hexobarbital?

The molecular formula of (-)-Hexobarbital is C12H16N2O3 and its molar mass is 236.27 g/mol.

What is (-)-Hexobarbital used for?

Known uses and roles of (-)-Hexobarbital include building blocks in research and laboratory and screening compounds in research and laboratory.

Is (-)-Hexobarbital hazardous?

No GHS hazard classification for (-)-Hexobarbital 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 (-)-Hexobarbital?

(-)-Hexobarbital is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Can I buy (-)-Hexobarbital on CompoundList?

No. (-)-Hexobarbital is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle (-)-Hexobarbital

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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