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Screening compounds

Samixogrel

Also known as samixogrelum, (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid, 6-(4-(2-(((4-Chlorophenyl)sulfonyl)amino)ethyl)phenyl)-6-(3-pyridyl)hex-5-enoic acid

CAS 133276-80-9Formula C25H25ClN2O4SMolar mass 485.01 g/mol
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Samixogrel chemical structure, C25H25ClN2O4S, CAS 133276-80-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
133276-80-9
Formula
C25H25ClN2O4S
Molar mass
485.01 g/mol
HS code
293590
Category
Screening compounds

What is Samixogrel?

Plain description, key identifiers and synonyms

Samixogrel is a chemical substance with the molecular formula C25H25ClN2O4S and a molar mass of 485.01 g/mol. Its CAS registry number is 133276-80-9. The IUPAC name is (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CAS number
133276-80-9 CAS number cross-checked
Molecular formula
C25H25ClN2O4S
UNII
5MB73H1ADH
InChIKey
LGHLGTHRJNIRCA-ZXKDJJQISA-N
InChI
InChI=1S/C25H25ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5+
Canonical SMILES
O=C(O)CCCC=C(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Isomeric SMILES
C1=CC(=CN=C1)/C(=C/CCCC(=O)O)/C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

Synonyms

  • samixogrelum
  • (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
  • 6-(4-(2-(((4-Chlorophenyl)sulfonyl)amino)ethyl)phenyl)-6-(3-pyridyl)hex-5-enoic acid
  • dttx30
  • (E)-6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-6-pyridin-3-yl-hex-5-enoic acid
  • (E)-6-(4-(2-((4-chlorophenyl)sulfonamido)ethyl)phenyl)-6-(pyridin-3-yl)hex-5-enoic acid
  • (E)-6-(p-(2-(p-Chlorobenzenesulfonamido)ethyl)phenyl)-6-(3-pyridyl)-5-hexenoic acid
  • (5E)-6-(4-{2-[(4-Chlorobenzene-1-sulfonyl)amino]ethyl}phenyl)-6-(pyridin-3-yl)hex-5-enoic 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
485.01 g/molcalc.
Exact mass
484.1224 Dacalc.
LogP (octanol/water)
4.94calc.
Topological polar surface area
96.36 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
11calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
0calc.
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, C=C(c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccnc1

C=C(c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccnc1

3 rings, 26 atoms.

4 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.

Samixogrel suppliers

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Samixogrel 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 Samixogrel is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Samixogrel?

Samixogrel is a chemical substance with the molecular formula C25H25ClN2O4S and a molar mass of 485.01 g/mol. Its CAS registry number is 133276-80-9. The IUPAC name is (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid.

What is the CAS number of Samixogrel?

The CAS registry number of Samixogrel is 133276-80-9.

What is the molecular formula and weight of Samixogrel?

The molecular formula of Samixogrel is C25H25ClN2O4S and its molar mass is 485.01 g/mol.

What is Samixogrel used for?

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

Is Samixogrel hazardous?

No GHS hazard classification for Samixogrel 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 Samixogrel?

Samixogrel is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Samixogrel?

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

What is the price of Samixogrel?

Suppliers quote Samixogrel 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 Samixogrel

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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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