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Screening compounds

Bicyclol

Also known as 4,4'-Bi-1,3-benzodioxole)-5-carboxylic acid, 5'-(hydroxymethyl)-7,7'-dimethoxy-, methyl ester, methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate, 4,4'-bi-(1,3-benzodioxole)-5-carboxylic acid, 5'-(hydroxymethyl)-7,7'-dimethoxy-, methyl ester

CAS 118159-48-1Formula C19H18O9Molar mass 390.34 g/molEC 633-021-4
GHS signal word: Warning. Pictograms: Hazardous to the environment 7 suppliers listed
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Bicyclol chemical structure, C19H18O9, CAS 118159-48-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
118159-48-1
Formula
C19H18O9
Molar mass
390.34 g/mol
EC number
633-021-4
HS code
293299
Category
Screening compounds

What is Bicyclol?

Plain description, key identifiers and synonyms

Bicyclol is a chemical substance with the molecular formula C19H18O9 and a molar mass of 390.34 g/mol. Its CAS registry number is 118159-48-1. The IUPAC name is methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
CAS number
118159-48-1 CAS number cross-checked
EC number
633-021-4
Molecular formula
C19H18O9
UNII
9734122TH2
MDL number
MFCD00889471
InChIKey
KXMTXZACPVCDMH-UHFFFAOYSA-N
InChI
InChI=1S/C19H18O9/c1-22-11-4-9(6-20)13(17-15(11)25-7-27-17)14-10(19(21)24-3)5-12(23-2)16-18(14)28-8-26-16/h4-5,20H,6-8H2,1-3H3
SMILES (canonical and isomeric)
COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2

Synonyms

  • 4,4'-Bi-1,3-benzodioxole)-5-carboxylic acid, 5'-(hydroxymethyl)-7,7'-dimethoxy-, methyl ester
  • methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
  • 4,4'-bi-(1,3-benzodioxole)-5-carboxylic acid, 5'-(hydroxymethyl)-7,7'-dimethoxy-, methyl ester
  • methyl 4-(5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carboxylate
  • Methyl 5'-(hydroxymethyl)-7,7'-dimethoxy-[4,4'-bibenzo[d][1,3]dioxole]-5-carboxylate
  • 5'-(hydroxymethyl)-7,7'-dimethoxy-[4,4'-bi-1,3-benzodioxole]-5-carboxylic acid, methyl ester
  • SY 801
  • Bicyclol, >=98% (HPLC)
  • 6-methoxycarbonyl-6'-hydroxymethyl-2,3,2',3'-bis(methylenedioxy)-4,4'-dimethoxybiphenyl
  • 4,4'-Dimethoxy-2,3,2',3'-bis(methylenedioxy)-6-hydroxymethyl-6'-methoxy-carbonyl biphenyl
  • Methyl 5'-(hydroxymethyl)-7,7'-dimethoxy-2H,2'H-[4,4'-bi-1,3-benzodioxole]-5-carboxylate

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
390.34 g/molcalc.
Exact mass
390.0951 Dacalc.
LogP (octanol/water)
2.11calc.
Topological polar surface area
101.9 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
5calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1cc2c(c(-c3cccc4c3OCO4)c1)OCO2

c1cc2c(c(-c3cccc4c3OCO4)c1)OCO2

4 rings, 18 atoms, the 2H,2'H-4,4'-Bi-1,3-benzodioxole ring system.

12 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H400Very toxic to aquatic life.
Precautionary statements (3)
  • P273Avoid release to the environment.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Bicyclol suppliers

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

All 7 suppliers
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Where suppliers are based

7 suppliers in 2 countries

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Bicyclol price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • pharmaceutical
  • vulnerary

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 Bicyclol is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Bicyclol?

Bicyclol is a chemical substance with the molecular formula C19H18O9 and a molar mass of 390.34 g/mol. Its CAS registry number is 118159-48-1. The IUPAC name is methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate.

What is the CAS number of Bicyclol?

The CAS registry number of Bicyclol is 118159-48-1.

What is the molecular formula and weight of Bicyclol?

The molecular formula of Bicyclol is C19H18O9 and its molar mass is 390.34 g/mol.

What is Bicyclol used for?

Known uses and roles of Bicyclol include building blocks in research and laboratory, screening compounds in research and laboratory, pharmaceutical and vulnerary.

Is Bicyclol hazardous?

Bicyclol carries the GHS signal word "Warning". Main hazards: very toxic to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Bicyclol?

Bicyclol is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bicyclol?

CompoundList lists 7 suppliers of Bicyclol in China and 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 Bicyclol?

Suppliers quote Bicyclol 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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