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Screening compounds

Rubranol

Also known as 1,2-Benzenediol, 4,4'-[(3R)-3-hydroxy-1,7-heptanediyl]bis-, 4-[(5R)-7-(3,4-Dihydroxyphenyl)-5-hydroxyheptyl]benzene-1,2-diol, Rubral

CAS 211126-61-3Formula C19H24O5Molar mass 332.40 g/mol
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Rubranol chemical structure, C19H24O5, CAS 211126-61-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
211126-61-3
Formula
C19H24O5
Molar mass
332.40 g/mol
HS code
290729
Category
Screening compounds

What is Rubranol?

Plain description, key identifiers and synonyms

Rubranol has been reported in Pinus flexilis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(5R)-7-(3,4-dihydroxyphenyl)-5-hydroxyheptyl]benzene-1,2-diol
CAS number
211126-61-3 CAS number cross-checked
Molecular formula
C19H24O5
MDL number
MFCD20274779
InChIKey
KCWHZHZEQUHBCW-OAHLLOKOSA-N
InChI
InChI=1S/C19H24O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h6-7,9-12,15,20-24H,1-5,8H2/t15-/m1/s1
Canonical SMILES
Oc1ccc(CCCCC(O)CCc2ccc(O)c(O)c2)cc1O
Isomeric SMILES
C1=CC(=C(C=C1CCCC[C@H](CCC2=CC(=C(C=C2)O)O)O)O)O

Synonyms

  • 1,2-Benzenediol, 4,4'-[(3R)-3-hydroxy-1,7-heptanediyl]bis-
  • 4-[(5R)-7-(3,4-Dihydroxyphenyl)-5-hydroxyheptyl]benzene-1,2-diol
  • Rubral
  • (R)-4,4'-(3-Hydroxyheptane-1,7-diyl)bis(benzene-1,2-diol)
  • (5r)-1,7-bis (3,4-dihydroxyphenyl)-heptane-5-ol
  • (R)-1,7-Bis-(3,4-dihydroxyphenyl)-5-hydroxyheptane
  • 4,4'-[(3R)-3-Hydroxyheptane-1,7-diyl]di(benzene-1,2-diol)
  • 4-[(5R)-7-(3,4-dihydroxyphenyl)-5-hydroxy-heptyl]benzene-1,2-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
332.40 g/molcalc.
Exact mass
332.1624 Dacalc.
LogP (octanol/water)
3.22calc.
Topological polar surface area
101.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
8calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.37calc.
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, c1ccc(CCCCCCCc2ccccc2)cc1

c1ccc(CCCCCCCc2ccccc2)cc1

2 rings, 19 atoms, the 1,1'-(Heptane-1,7-diyl)dibenzene ring system.

51 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.

Rubranol suppliers

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Rubranol 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 Rubranol is traded under.

HS 2907.29Indicative HS code

Polyphenols, phenol-alcohols, other

World exports in 2024
$535M
−27.0% vs 2023, imports $565M
2019 to 2024
Top exporters
  1. India * partner reported17.7%
  2. Germany16.5%
  3. Japan15.8%
Top importers
  1. United States13.1%
  2. Japan8.0%
  3. Belgium7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Rubranol?

Rubranol has been reported in Pinus flexilis.

What is the CAS number of Rubranol?

The CAS registry number of Rubranol is 211126-61-3.

What is the molecular formula and weight of Rubranol?

The molecular formula of Rubranol is C19H24O5 and its molar mass is 332.40 g/mol.

What is Rubranol used for?

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

Is Rubranol hazardous?

No GHS hazard classification for Rubranol 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 Rubranol?

Rubranol is usually classified under HS code 290729 (Polyphenols, phenol-alcohols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Rubranol?

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

What is the price of Rubranol?

Suppliers quote Rubranol 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 Rubranol

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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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