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Screening compounds

PMID30107136-Compound-Example2

Also known as BMS 8, 1-(3-Bromo-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)benzyl)piperidine-2-carboxylic acid, 1-[3-Bromo-4-(2-methyl-biphenyl-3-ylmethoxy)-benzyl]-piperidine-2-carboxylic acid

CAS 1675201-90-7Formula C27H28BrNO3Molar mass 494.43 g/mol
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PMID30107136-Compound-Example2 chemical structure, C27H28BrNO3, CAS 1675201-90-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1675201-90-7
Formula
C27H28BrNO3
Molar mass
494.43 g/mol
HS code
293339
Category
Screening compounds

What is PMID30107136-Compound-Example2?

Plain description, key identifiers and synonyms

PMID30107136-Compound-Example2 is a chemical substance with the molecular formula C27H28BrNO3 and a molar mass of 494.43 g/mol. Its CAS registry number is 1675201-90-7. The IUPAC name is 1-[[3-bromo-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[[3-bromo-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
CAS number
1675201-90-7
Molecular formula
C27H28BrNO3
MDL number
MFCD31714164
InChIKey
QRXBPPWUGITQLE-UHFFFAOYSA-N
InChI
InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31)
SMILES (canonical and isomeric)
CC1=C(C=CC=C1C2=CC=CC=C2)COC3=C(C=C(C=C3)CN4CCCCC4C(=O)O)Br

Synonyms

  • BMS 8
  • 1-(3-Bromo-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)benzyl)piperidine-2-carboxylic acid
  • 1-[3-Bromo-4-(2-methyl-biphenyl-3-ylmethoxy)-benzyl]-piperidine-2-carboxylic acid
  • 1-[[3-bromo-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
  • 1-[[3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl]methyl]-2-piperidinecarboxylicacid
  • C27H28BrNO3
  • BMS-8?
  • US9872852, Example 8
  • 1-[[3-bromo-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic 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
494.43 g/molcalc.
Exact mass
493.1253 Dacalc.
LogP (octanol/water)
6.44calc.
Topological polar surface area
49.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc(-c2cccc(COc3ccc(CN4CCCCC4)cc3)c2)cc1

c1ccc(-c2cccc(COc3ccc(CN4CCCCC4)cc3)c2)cc1

4 rings, 27 atoms.

2 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.

PMID30107136-Compound-Example2 suppliers

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PMID30107136-Compound-Example2 price

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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 PMID30107136-Compound-Example2 is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

The HS code shown for PMID30107136-Compound-Example2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PMID30107136-Compound-Example2, based on the data on this page

What is PMID30107136-Compound-Example2?

PMID30107136-Compound-Example2 is a chemical substance with the molecular formula C27H28BrNO3 and a molar mass of 494.43 g/mol. Its CAS registry number is 1675201-90-7. The IUPAC name is 1-[[3-bromo-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid.

What is the CAS number of PMID30107136-Compound-Example2?

The CAS registry number of PMID30107136-Compound-Example2 is 1675201-90-7.

What is the molecular formula and weight of PMID30107136-Compound-Example2?

The molecular formula of PMID30107136-Compound-Example2 is C27H28BrNO3 and its molar mass is 494.43 g/mol.

What is PMID30107136-Compound-Example2 used for?

Known uses and roles of PMID30107136-Compound-Example2 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is PMID30107136-Compound-Example2 hazardous?

No GHS hazard classification for PMID30107136-Compound-Example2 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 PMID30107136-Compound-Example2?

PMID30107136-Compound-Example2 is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PMID30107136-Compound-Example2?

Post a free request on CompoundList and suppliers of PMID30107136-Compound-Example2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of PMID30107136-Compound-Example2?

Suppliers quote PMID30107136-Compound-Example2 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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