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Heterocyclic building blocks

Bas 05044537

Also known as 1-oxo-2-(propan-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 3-Isopropyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid, 3-Isopropyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0(1,5)]dec-8-ene-6-carboxylic acid

CAS 436811-01-7Formula C12H15NO4Molar mass 237.26 g/mol
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Bas 05044537 chemical structure, C12H15NO4, CAS 436811-01-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
436811-01-7
Formula
C12H15NO4
Molar mass
237.26 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Bas 05044537?

Plain description, key identifiers and synonyms

Bas 05044537 is a chemical substance with the molecular formula C12H15NO4 and a molar mass of 237.26 g/mol. Its CAS registry number is 436811-01-7. The IUPAC name is 4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
CAS number
436811-01-7 CAS number cross-checked
Molecular formula
C12H15NO4
InChIKey
PHAYITCIRICDCI-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO4/c1-6(2)13-5-12-4-3-7(17-12)8(11(15)16)9(12)10(13)14/h3-4,6-9H,5H2,1-2H3,(H,15,16)
SMILES (canonical and isomeric)
CC(C)N1CC23C=CC(O2)C(C3C1=O)C(=O)O

Synonyms

  • 1-oxo-2-(propan-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
  • 3-Isopropyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid
  • 3-Isopropyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0(1,5)]dec-8-ene-6-carboxylic acid
  • 4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
  • 2-Isopropyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
  • 3-isopropyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
  • 3-isopropyl-4-oxo-10-oxa-3-aza-tricyclo[
  • 1-oxo-2-(propan-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
  • 3-(methylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0<1,5>]dec-8-ene-6-carboxylic acid
  • 3-Isopropyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylicacid
  • 4-oxo-3-(propan-2-yl)-10-oxa-3-azatricyclo[5.2.1.0(1),?]dec-8-ene-6-carboxylic acid

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
237.26 g/molcalc.
Exact mass
237.1001 Dacalc.
LogP (octanol/water)
0.26calc.
Topological polar surface area
66.84 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
17calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1NCC23C=CC(CC12)O3

O=C1NCC23C=CC(CC12)O3

3 rings, 11 atoms.

15 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.

Bas 05044537 suppliers

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Bas 05044537 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 Bas 05044537 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 Bas 05044537 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bas 05044537, based on the data on this page

What is Bas 05044537?

Bas 05044537 is a chemical substance with the molecular formula C12H15NO4 and a molar mass of 237.26 g/mol. Its CAS registry number is 436811-01-7. The IUPAC name is 4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.

What is the CAS number of Bas 05044537?

The CAS registry number of Bas 05044537 is 436811-01-7.

What is the molecular formula and weight of Bas 05044537?

The molecular formula of Bas 05044537 is C12H15NO4 and its molar mass is 237.26 g/mol.

What is Bas 05044537 used for?

Known uses and roles of Bas 05044537 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bas 05044537 hazardous?

No GHS hazard classification for Bas 05044537 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 Bas 05044537?

Bas 05044537 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 Bas 05044537?

Post a free request on CompoundList and suppliers of Bas 05044537 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bas 05044537?

Suppliers quote Bas 05044537 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

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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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