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Screening compounds

Centrolobol

Also known as (-)-centrolobol, 4-[(5R)-5-Hydroxy-7-(4-hydroxyphenyl)heptyl]phenol, 3-Heptanol, 1,7-bis(p-hydroxyphenyl)-, (R)-(-)-

CAS 30359-01-4Formula C19H24O3Molar mass 300.40 g/mol
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Centrolobol chemical structure, C19H24O3, CAS 30359-01-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
30359-01-4
Formula
C19H24O3
Molar mass
300.40 g/mol
HS code
290729
Category
Screening compounds

What is Centrolobol?

Plain description, key identifiers and synonyms

Centrolobol has been reported in Betula platyphylla, Centrolobium paraense, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(5R)-5-hydroxy-7-(4-hydroxyphenyl)heptyl]phenol
CAS number
30359-01-4 CAS number cross-checked
Molecular formula
C19H24O3
InChIKey
UYJAYWZGEZOHRU-QGZVFWFLSA-N
InChI
InChI=1S/C19H24O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,17,20-22H,1-4,7,10H2/t17-/m1/s1
Canonical SMILES
Oc1ccc(CCCCC(O)CCc2ccc(O)cc2)cc1
Isomeric SMILES
C1=CC(=CC=C1CCCC[C@H](CCC2=CC=C(C=C2)O)O)O

Synonyms

  • (-)-centrolobol
  • 4-[(5R)-5-Hydroxy-7-(4-hydroxyphenyl)heptyl]phenol
  • 3-Heptanol, 1,7-bis(p-hydroxyphenyl)-, (R)-(-)-
  • (R)-(-)-1,7-Bis(p-hydroxyphenyl)-3-heptanol
  • (R)-4,4'-(3-hydroxyheptane-1,7-diyl)diphenol
  • 4,4'-[(3R)-3-Hydroxyheptane-1,7-diyl]diphenol
  • Benzenepentanol, 4-hydroxy--[2-(4-hydroxyphenyl)ethyl]-, (R)-, (R)-4-Hydroxy--[2-(4-hydroxyphenyl)ethyl]benzenepentanol, (-)-Centrolobol, Centrolobol, (-)-

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
300.40 g/molcalc.
Exact mass
300.1725 Dacalc.
LogP (octanol/water)
3.8calc.
Topological polar surface area
60.69 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
8calc.
Heavy atoms
22calc.
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.

Centrolobol suppliers

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

Frequently asked questions

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

What is Centrolobol?

Centrolobol has been reported in Betula platyphylla, Centrolobium paraense, and other organisms.

What is the CAS number of Centrolobol?

The CAS registry number of Centrolobol is 30359-01-4.

What is the molecular formula and weight of Centrolobol?

The molecular formula of Centrolobol is C19H24O3 and its molar mass is 300.40 g/mol.

What is Centrolobol used for?

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

Is Centrolobol hazardous?

No GHS hazard classification for Centrolobol 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 Centrolobol?

Centrolobol 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 Centrolobol?

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

What is the price of Centrolobol?

Suppliers quote Centrolobol 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 Centrolobol

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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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