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Screening compounds

Elocalcitol

Also known as BXL 628, elocalcitolum, Ro-26-9228

CAS 199798-84-0Formula C29H43FO2Molar mass 442.66 g/mol
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Elocalcitol chemical structure, C29H43FO2, CAS 199798-84-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
199798-84-0
Formula
C29H43FO2
Molar mass
442.66 g/mol
HS code
290619
Category
Screening compounds

What is Elocalcitol?

Plain description, key identifiers and synonyms

Elocalcitol is a chemical substance with the molecular formula C29H43FO2 and a molar mass of 442.66 g/mol. Its CAS registry number is 199798-84-0. The IUPAC name is trans-(1R,3Z,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
trans-(1R,3Z,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol
CAS number
199798-84-0 CAS number cross-checked
Molecular formula
C29H43FO2
UNII
2WDS5F2V6Q
MDL number
MFCD09954119
InChIKey
LRLWXBHFPGSUOX-GJQYOBCGSA-N
InChI
InChI=1S/C29H43FO2/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(31)19-27(30)21(23)4/h8,12-14,17,20,24,26-27,31-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/b17-8+,22-12+,23-13-/t20-,24+,26-,27-,28+/m0/s1
Canonical SMILES
C=C1C(=CC=C2CCCC3(C)C(C(C)CC=CC(O)(CC)CC)=CCC23)CC(O)CC1F
Isomeric SMILES
CCC(CC)(/C=C/C[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)F)O)C)O

Synonyms

  • BXL 628
  • elocalcitolum
  • Ro-26-9228
  • Ro 26-9228
  • 1alpha-Fluoro-25-hydroxy-16,23E-diene-26,27-bishomo-20-epi-cholecalciferol
  • 1alpha-fluoro-16-ene-20-epi-23-ene-26,27-bishomo-25-hydroxyvitamin D3
  • 1S,3R,5Z,7E,23E)-1-fluoro-26,27-dihomo-9,10-secocholesta-5,7,10(19),16,23-pentaene-3,25-diol

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
442.66 g/molcalc.
Exact mass
442.3247 Dacalc.
LogP (octanol/water)
7.16calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.66calc.
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=C1CCCC2C=CCC12

C=C1CCCCC1=CC=C1CCCC2C=CCC12

3 rings, 18 atoms.

6 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.

Elocalcitol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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  • Axon Medchem
    United States, RestonUnclaimed profile
    ElocalcitolGrade, purity and minimum order on request
    Price on request
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Elocalcitol 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 Elocalcitol is traded under.

HS 2906.19Indicative HS code

Cyclanic, cyclenic or cycloterpenic, other

World exports in 2024
$613M
+18.7% vs 2023, imports $606M
2019 to 2024
Top exporters
  1. China34.2%
  2. India * partner reported10.1%
  3. Germany9.5%
Top importers
  1. United States19.8%
  2. Germany9.0%
  3. India * partner reported8.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Elocalcitol?

Elocalcitol is a chemical substance with the molecular formula C29H43FO2 and a molar mass of 442.66 g/mol. Its CAS registry number is 199798-84-0.

What is the CAS number of Elocalcitol?

The CAS registry number of Elocalcitol is 199798-84-0.

What is the molecular formula and weight of Elocalcitol?

The molecular formula of Elocalcitol is C29H43FO2 and its molar mass is 442.66 g/mol.

What is Elocalcitol used for?

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

Is Elocalcitol hazardous?

No GHS hazard classification for Elocalcitol 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 Elocalcitol?

Elocalcitol is usually classified under HS code 290619 (Cyclanic, cyclenic or cycloterpenic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Elocalcitol?

CompoundList lists 1 supplier of Elocalcitol in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Elocalcitol?

Suppliers quote Elocalcitol 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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