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Screening compounds

Calcioic acid

Formula C23H34O3Molar mass 358.52 g/mol
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Calcioic acid chemical structure, C23H34O3
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C23H34O3
Molar mass
358.52 g/mol
HS code
291819
Category
Screening compounds

What is Calcioic acid?

Plain description, key identifiers and synonyms

Calcioic acid is a chemical substance with the molecular formula C23H34O3 and a molar mass of 358.52 g/mol. The IUPAC name is (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
Molecular formula
C23H34O3
InChIKey
ORQIVTIIFIPFDT-NZXNJISKSA-N
InChI
InChI=1S/C23H34O3/c1-15-6-9-19(24)14-18(15)8-7-17-5-4-12-23(3)20(10-11-21(17)23)16(2)13-22(25)26/h7-8,16,19-21,24H,1,4-6,9-14H2,2-3H3,(H,25,26)/b17-7+,18-8-/t16-,19+,20-,21+,23-/m1/s1
Canonical SMILES
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CC(=O)O
Isomeric SMILES
C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

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
358.52 g/molcalc.
Exact mass
358.2508 Dacalc.
LogP (octanol/water)
5.27calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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, C=C1CCCCC1=CC=C1CCCC2CCCC12

C=C1CCCCC1=CC=C1CCCC2CCCC12

3 rings, 18 atoms.

569 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.

Calcioic acid suppliers

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Calcioic acid 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 Calcioic acid is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Calcioic acid, based on the data on this page

What is Calcioic acid?

Calcioic acid is a chemical substance with the molecular formula C23H34O3 and a molar mass of 358.52 g/mol. The IUPAC name is (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid.

What is the molecular formula and weight of Calcioic acid?

The molecular formula of Calcioic acid is C23H34O3 and its molar mass is 358.52 g/mol.

What is Calcioic acid used for?

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

Is Calcioic acid hazardous?

No GHS hazard classification for Calcioic acid 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 Calcioic acid?

Calcioic acid is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Calcioic acid?

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

What is the price of Calcioic acid?

Suppliers quote Calcioic acid 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 Calcioic acid

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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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