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Heterocyclic building blocks

PBFI

Also known as PBFI FREE ACID, PBFI, ~80% (HPLC), (4,4'-[1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diylbis(5-methoxy-6,2-benzofurandiyl)]bis-1,3-benzenedicarboxylic acid)

CAS 124549-11-7Formula C46H46N2O16Molar mass 882.87 g/mol
1 supplier listed
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PBFI chemical structure, C46H46N2O16, CAS 124549-11-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
124549-11-7
Formula
C46H46N2O16
Molar mass
882.87 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is PBFI?

Plain description, key identifiers and synonyms

PBFI is a chemical substance with the molecular formula C46H46N2O16 and a molar mass of 882.87 g/mol. Its CAS registry number is 124549-11-7. The IUPAC name is 4-[6-[16-[2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-5-methoxy-1-benzofuran-2-yl]benzene-1,3-dicarboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[6-[16-[2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-5-methoxy-1-benzofuran-2-yl]benzene-1,3-dicarboxylic acid
CAS number
124549-11-7 CAS number cross-checked
Molecular formula
C46H46N2O16
MDL number
MFCD00083473
InChIKey
YOQMJMHTHWYNIO-UHFFFAOYSA-N
InChI
InChI=1S/C46H46N2O16/c1-57-41-23-29-21-39(31-5-3-27(43(49)50)19-33(31)45(53)54)63-37(29)25-35(41)47-7-11-59-15-17-61-13-9-48(10-14-62-18-16-60-12-8-47)36-26-38-30(24-42(36)58-2)22-40(64-38)32-6-4-28(44(51)52)20-34(32)46(55)56/h3-6,19-26H,7-18H2,1-2H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)
SMILES (canonical and isomeric)
COC1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)C(=O)O)C(=O)O)N4CCOCCOCCN(CCOCCOCC4)C5=C(C=C6C=C(OC6=C5)C7=C(C=C(C=C7)C(=O)O)C(=O)O)OC

Synonyms

  • PBFI FREE ACID
  • PBFI, ~80% (HPLC)
  • (4,4'-[1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diylbis(5-methoxy-6,2-benzofurandiyl)]bis-1,3-benzenedicarboxylic acid)
  • 4,4'-[1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diylbis(5-methoxy-1-benzofuran-6,2-diyl)]di(benzene-1,3-dicarboxylic acid)

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
882.87 g/molcalc.
Exact mass
882.2847 Dacalc.
LogP (octanol/water)
6.72calc.
Topological polar surface area
237.3 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
10calc.
Heavy atoms
64calc.
Rings
7calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (3 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(-c2cc3ccc(N4CCOCCOCCN(c5ccc6cc(-c7ccccc7)oc6c5)CCOCCOCC4)cc3o2)cc1

c1ccc(-c2cc3ccc(N4CCOCCOCCN(c5ccc6cc(-c7ccccc7)oc6c5)CCOCCOCC4)cc3o2)cc1

7 rings, 48 atoms.

1 other chemical 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.

PBFI suppliers

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

See the supplier
  • Chemodex Ltd.
    Switzerland, St. GallenUnclaimed profile
    PBFIGrade, purity and minimum order on request
    Price on request
    View

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Where suppliers are based

1 supplier in 1 country

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PBFI 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

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 PBFI is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is PBFI?

PBFI is a chemical substance with the molecular formula C46H46N2O16 and a molar mass of 882.87 g/mol. Its CAS registry number is 124549-11-7.

What is the CAS number of PBFI?

The CAS registry number of PBFI is 124549-11-7.

What is the molecular formula and weight of PBFI?

The molecular formula of PBFI is C46H46N2O16 and its molar mass is 882.87 g/mol.

What is PBFI used for?

Known uses and roles of PBFI include building blocks in research and laboratory.

Is PBFI hazardous?

No GHS hazard classification for PBFI 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 PBFI?

PBFI is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PBFI?

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

What is the price of PBFI?

Suppliers quote PBFI 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 PBFI

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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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