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Screening compounds

Orb1710144

CAS 182369-28-4Formula C28H46O4Molar mass 446.67 g/mol
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Orb1710144 chemical structure, C28H46O4, CAS 182369-28-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
182369-28-4
Formula
C28H46O4
Molar mass
446.67 g/mol
HS code
290949
Category
Screening compounds

What is Orb1710144?

Plain description, key identifiers and synonyms

Orb1710144 is a chemical substance with the molecular formula C28H46O4 and a molar mass of 446.67 g/mol. Its CAS registry number is 182369-28-4. The IUPAC name is trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-(3-ethyl-3-hydroxypentoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-(3-ethyl-3-hydroxypentoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CAS number
182369-28-4
Molecular formula
C28H46O4
InChIKey
MJTTZPJXKAGWID-BSGGSXJLSA-N
InChI
InChI=1S/C28H46O4/c1-6-28(31,7-2)15-16-32-20(4)24-12-13-25-21(9-8-14-27(24,25)5)10-11-22-17-23(29)18-26(30)19(22)3/h10-11,20,23-26,29-31H,3,6-9,12-18H2,1-2,4-5H3/b21-10+,22-11-/t20-,23-,24-,25+,26+,27-/m1/s1
Canonical SMILES
C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)OCCC(O)(CC)CC)CC(O)CC1O
Isomeric SMILES
CCC(CC)(CCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O

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
446.67 g/molcalc.
Exact mass
446.3396 Dacalc.
LogP (octanol/water)
5.47calc.
Topological polar surface area
69.92 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
6calc.
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.

Orb1710144 suppliers

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Orb1710144 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 Orb1710144 is traded under.

HS 2909.49Indicative HS code

Ether-alcohols and their halogenated not elsewhere classified in subheading 2909.4

World exports in 2024
$1.74B
+6.8% vs 2023, imports $1.86B
2019 to 2024
Top exporters
  1. Germany20.6%
  2. China13.9%
  3. Netherlands12.2%
Top importers
  1. China8.8%
  2. Germany8.3%
  3. United States7.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1710144 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1710144, based on the data on this page

What is Orb1710144?

Orb1710144 is a chemical substance with the molecular formula C28H46O4 and a molar mass of 446.67 g/mol. Its CAS registry number is 182369-28-4.

What is the CAS number of Orb1710144?

The CAS registry number of Orb1710144 is 182369-28-4.

What is the molecular formula and weight of Orb1710144?

The molecular formula of Orb1710144 is C28H46O4 and its molar mass is 446.67 g/mol.

What is Orb1710144 used for?

Known uses and roles of Orb1710144 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1710144 hazardous?

No GHS hazard classification for Orb1710144 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 Orb1710144?

Orb1710144 is usually classified under HS code 290949 (Ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1710144?

Post a free request on CompoundList and suppliers of Orb1710144 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1710144?

Suppliers quote Orb1710144 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 Orb1710144

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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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