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Screening compounds

Pca 4248

Also known as PTEMC, Pca-4248, 3-(2-(Phenylthio)ethyl)-5-methoxycarbonyl-4-methyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

CAS 123875-01-4Formula C19H23NO4SMolar mass 361.46 g/mol
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Pca 4248 chemical structure, C19H23NO4S, CAS 123875-01-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
123875-01-4
Formula
C19H23NO4S
Molar mass
361.46 g/mol
HS code
293339
Category
Screening compounds

What is Pca 4248?

Plain description, key identifiers and synonyms

2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-(phenylthio)ethyl] ester is a dihydropyridine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS number
123875-01-4 CAS number cross-checked
Molecular formula
C19H23NO4S
InChIKey
DHCNAWNKZMNTIS-UHFFFAOYSA-N
InChI
InChI=1S/C19H23NO4S/c1-12-16(18(21)23-4)13(2)20-14(3)17(12)19(22)24-10-11-25-15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3
SMILES (canonical and isomeric)
CC1C(=C(NC(=C1C(=O)OCCSC2=CC=CC=C2)C)C)C(=O)OC

Synonyms

  • PTEMC
  • Pca-4248
  • 3-(2-(Phenylthio)ethyl)-5-methoxycarbonyl-4-methyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
  • O5-methyl O3-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • methyl 2-(phenylsulfanyl)ethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • 3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • PCA-4248, PCA 4248
  • 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,4,6-trimethyl-, 3-methyl 5-[2-(phenylthio)ethyl] ester
  • 3-Methyl 5-(2-(phenylthio)ethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • 2-(Phenylthio)ethyl-5-methoxycarbonyl-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
  • Pca-4248, PTEMC,
  • Bio1_000465
  • Bio1_000954
  • Bio1_001443
  • Bio2_000337
  • Bio2_000817
  • 2-phenylsulfanylethyl methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-d icarboxylate
  • 2-phenylthioethyl 5-(methoxycarbonyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-ca rboxylate
  • Methyl-2-(phenylthio)ethyl-1,4-dihydro-2,4,6-trimethyl-pyridine-3,5-dicarboxylate
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, methyl 2-(phenylthio)ethyl ester
  • 3-Methyl 5-[2-(phenylsulfanyl)ethyl] 2,4,6-trimethyl-1,4-dihydro-3,5-pyridinedicarboxylate #
  • Pyridine-3, 5-dicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, methyl 2-phenylthioethyl ester

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
361.46 g/molcalc.
Exact mass
361.1348 Dacalc.
LogP (octanol/water)
3.28calc.
Topological polar surface area
64.63 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
1calc.
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, O=C(OCCSc1ccccc1)C1=CNC=CC1

O=C(OCCSc1ccccc1)C1=CNC=CC1

2 rings, 18 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.

Pca 4248 suppliers

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Pca 4248 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 Pca 4248 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 Pca 4248 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pca 4248, based on the data on this page

What is Pca 4248?

2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-(phenylthio)ethyl] ester is a dihydropyridine.

What is the CAS number of Pca 4248?

The CAS registry number of Pca 4248 is 123875-01-4.

What is the molecular formula and weight of Pca 4248?

The molecular formula of Pca 4248 is C19H23NO4S and its molar mass is 361.46 g/mol.

What is Pca 4248 used for?

Known uses and roles of Pca 4248 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pca 4248 hazardous?

No GHS hazard classification for Pca 4248 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 Pca 4248?

Pca 4248 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 Pca 4248?

CompoundList lists 1 supplier of Pca 4248 in 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 Pca 4248?

Suppliers quote Pca 4248 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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