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Dalcetrapib

Also known as S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate, dalcetrapibum, S-(2-((1-(2-ethylbutyl)cyclohexanecarbonyl)amino)phenyl) 2-methylpropanethioate

CAS 211513-37-0Formula C23H35NO2SMolar mass 389.61 g/molEC 816-493-8
Dalcetrapib chemical structure, C23H35NO2S, CAS 211513-37-0
2D chemical structure

Key facts

What buyers check first

CAS number
211513-37-0
Formula
C23H35NO2S
Molar mass
389.61 g/mol
EC number
816-493-8
HS code
293090
Category
Cardiovascular and metabolic drugs

What is Dalcetrapib?

Plain description, key identifiers and synonyms

2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester is an anilide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
CAS number
211513-37-0 CAS number cross-checked
EC number
816-493-8
Molecular formula
C23H35NO2S
UNII
3D050LIQ3H
MDL number
MFCD06407886
InChIKey
YZQLWPMZQVHJED-UHFFFAOYSA-N
InChI
InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)
SMILES (canonical and isomeric)
CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C

Synonyms

  • S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
  • dalcetrapibum
  • S-(2-((1-(2-ethylbutyl)cyclohexanecarbonyl)amino)phenyl) 2-methylpropanethioate
  • S-(2-((1-(2-ethylbutyl)cyclohexane)carbonylamino)phenyl) 2-methylpropanethioate
  • 1-(2-ethylbutyl)-N-(2-((2-methylpropanoyl)sulfanyl)phenyl)cyclohexane-1-carboxamide
  • Dalcetrapib (JTT-705, RO4607381)
  • JTT 705
  • Dalcetrapib (JTT-705)
  • S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate
  • S-(2-(1-(2-ethylbutyl)cyclohexanecarboxamido)phenyl) 2-methylpropanethioate
  • S-2-(1-(2-ethylbutyl)cyclohexanecarboxamido)phenyl 2-methylpropanethioate
  • S-(2-(1-(2-ethylbutyl)cyclohexane-1-carboxamido)phenyl) 2-methylpropanethioate
  • 2-Methylpropanethioic acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl] ester
  • S-{2-[1-(2-Ethylbutyl)cyclohexane-1-carboxamido]phenyl} 2-methylpropanethioate
  • Dalcetrapib (USAN/INN)
  • Dalcetrapib, >=97% (HPLC)
  • Thioisobutyric acid S-(2-{[1-(2-ethyl-butyl)-cyclohexanecarbonyl]-amino}-phenyl) ester
  • Dalcetrapib (JTT-705, RO-4607381)
  • s-[2-[1-(2-ethylbutyl)cyclohexanecarbonylamino]-phenyl] 2-methylthiopropionate
  • Propanethioic acid, 2-methyl-, S-(2-(((1-(2-ethylbutyl)cyclohexyl)carbonyl)amino)phenyl) 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
389.61 g/molcalc.
Exact mass
389.2389 Dacalc.
LogP (octanol/water)
6.68calc.
Topological polar surface area
46.17 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
8calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
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, O=C(Nc1ccccc1)C1CCCCC1

O=C(Nc1ccccc1)C1CCCCC1

2 rings, 15 atoms, the N-Phenylcyclohexanecarboxamide ring system.

454 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS classification
Hazard pictograms

Hazard statements

  • H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (2)
  • P273Avoid release to the environment.
  • 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

Dalcetrapib suppliers

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Dalcetrapib 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

Pharmacological actions

  • Anticholesteremic Agents

Roles

  • anticholesteremic drug
  • antilipemic drug
  • antimicrobial agent
  • antiviral agent
  • cardiovascular drug
  • pharmaceutical

Pharmacology

Dalcetrapib is a cholesteryl ester transfer protein (CETP) inhibitor that can produce an increase in serum HDL-cholesterol levels and a decrease in serum LDL-cholesterol levels. Dalcetrapib is structurally dissimilar from other CETP inhibitors, including torcetrapib, and raises functional HDL by a different mechanism.

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 Dalcetrapib is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Dalcetrapib?

2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester is an anilide.

What is the CAS number of Dalcetrapib?

The CAS registry number of Dalcetrapib is 211513-37-0.

What is the molecular formula and weight of Dalcetrapib?

The molecular formula of Dalcetrapib is C23H35NO2S and its molar mass is 389.61 g/mol.

What is Dalcetrapib used for?

Known uses and roles of Dalcetrapib include cardiovascular drugs in pharmaceuticals, anticholesteremic drug, antilipemic drug, antimicrobial agent, antiviral agent and 3 more.

Is Dalcetrapib hazardous?

Dalcetrapib has a GHS hazard classification. Main hazards: may cause long lasting harmful effects to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dalcetrapib?

Dalcetrapib is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dalcetrapib?

CompoundList lists 20 suppliers of Dalcetrapib in China, United States, Canada, Germany and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Dalcetrapib?

Suppliers quote Dalcetrapib 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 Dalcetrapib

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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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