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Screening compounds

Cay10583

Also known as 2-{4-[(N-phenylpentanamido)methyl]phenyl}benzoic acid, compound A, CAY 10583

CAS 862891-27-8Formula C25H25NO3Molar mass 387.48 g/mol
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Cay10583 chemical structure, C25H25NO3, CAS 862891-27-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
862891-27-8
Formula
C25H25NO3
Molar mass
387.48 g/mol
HS code
292429
Category
Screening compounds

What is Cay10583?

Plain description, key identifiers and synonyms

[1,1'-biphenyl]-2-carboxylic acid, 4'-[[(1-oxopentyl)phenylamino]methyl]- is a member of biphenyls.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[4-[(N-pentanoylanilino)methyl]phenyl]benzoic acid
CAS number
862891-27-8 CAS number cross-checked
Molecular formula
C25H25NO3
MDL number
MFCD18382083
InChIKey
IUJTVDNJFPZYBL-UHFFFAOYSA-N
InChI
InChI=1S/C25H25NO3/c1-2-3-13-24(27)26(21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25(28)29/h4-12,14-17H,2-3,13,18H2,1H3,(H,28,29)
SMILES (canonical and isomeric)
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3

Synonyms

  • 2-{4-[(N-phenylpentanamido)methyl]phenyl}benzoic acid
  • compound A
  • CAY 10583
  • compound A (PMID:15866883)
  • 2-(4-((N-phenylpentanamido)methyl)phenyl)benzoic acid
  • 2-[4-[(N-pentanoylanilino)methyl]phenyl]benzoic acid
  • 4'-[[(1-oxopentyl)phenylamino]methyl]-[1,1'-biphenyl]-2-carboxylic acid
  • 4'-[(N-phenylpentanamido)methyl]biphenyl-2-carboxylic acid
  • 4'-[(N-Phenylpentanamido)methyl][1,1'-biphenyl]-2-carboxylic acid
  • 4'-((N-Phenylpentanamido)methyl)-[1,1'-biphenyl]-2-carboxylic acid
  • 4'-{[Pentanoyl(phenyl)amino]methyl}[1,1'-biphenyl]-2-carboxylic acid
  • [1,1'-Biphenyl]-2-carboxylic acid, 4'-[[(1-oxopentyl)phenylamino]methyl]-

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
387.48 g/molcalc.
Exact mass
387.1834 Dacalc.
LogP (octanol/water)
5.78calc.
Topological polar surface area
57.61 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
8calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
0calc.
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(NCc2ccc(-c3ccccc3)cc2)cc1

c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1

3 rings, 20 atoms.

33 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.

Cay10583 suppliers

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Cay10583 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 Cay10583 is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Cay10583 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cay10583, based on the data on this page

What is Cay10583?

[1,1'-biphenyl]-2-carboxylic acid, 4'-[[(1-oxopentyl)phenylamino]methyl]- is a member of biphenyls.

What is the CAS number of Cay10583?

The CAS registry number of Cay10583 is 862891-27-8.

What is the molecular formula and weight of Cay10583?

The molecular formula of Cay10583 is C25H25NO3 and its molar mass is 387.48 g/mol.

What is Cay10583 used for?

Known uses and roles of Cay10583 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cay10583 hazardous?

No GHS hazard classification for Cay10583 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 Cay10583?

Cay10583 is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cay10583?

Post a free request on CompoundList and suppliers of Cay10583 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cay10583?

Suppliers quote Cay10583 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 Cay10583

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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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