Dolasteron

• CAS: 40828-46-4
• Catalog Number: ACM40828464
• Category: Main Products
• Molecular Weight: 260.30828
• Molecular Formula: C₁₄H₁₂O₃S
• Synonyms: DOLASETRON;(+-)-2-(p-(2-thenoyl)phenyl)propionicacid;alpha-methyl-4-(2-thienylcarbonyl)-benzeneaceticaci;alpha-methyl-4-(2-thienylcarbonyl)benzeneaceticacid;maldocil;p-(2-thenoyl)-hydratropicaci;p-(2-thenoyl)hydratropicacid;r25061
• IUPAC Name: 2-[4-(thiophene-2-carbonyl)phenyl]propanoicacid
• Canonical SMILES: CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O
• InChI Key: MDKGKXOCJGEUJW-UHFFFAOYSA-N
• Boiling Point: 442.6ºC at 760 mmHg
• Melting Point: 278°C
• Flash Point: 221.5ºC
• Density: 1.29 g/cm³
• EC Number: 255-096-9
• Exact Mass: 260.05100
• Packing Group: III
• Stability: Stable at normal temperatures and pressures.

Custom Q&A

What is the molecular formula of Dolasteron?

The molecular formula of Dolasteron is C14H12O3S.

What is the molecular weight of Dolasteron?

The molecular weight of Dolasteron is 260.31 g/mol.

What is the IUPAC name of Dolasteron?

The IUPAC name of Dolasteron is 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid.

What are the synonyms of Dolasteron?

The synonyms of Dolasteron include suprofen, 40828-46-4, Profenal, Sutoprofen, and Maldocil.

What is the structure of Dolasteron?

The structure of Dolasteron can be viewed at https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=5359&t=l.

What is the InChIKey of Dolasteron?

The InChIKey of Dolasteron is MDKGKXOCJGEUJW-UHFFFAOYSA-N.

What is the CAS number of Dolasteron?

The CAS number of Dolasteron is 40828-46-4.

What is the UNII of Dolasteron?

The UNII of Dolasteron is 988GU2F9PE.

What is the ChEMBL ID of Dolasteron?

The ChEMBL ID of Dolasteron is CHEMBL956.

What are the chemical and physical properties of Dolasteron?

The molecular weight of Dolasteron is 260.31 g/mol, and it has an XLogP3-AA value of 3.3. It has a hydrogen bond donor count of 1.

Synthetic Use

Upstream Synthesis Route 1

• 201230-82-2
• 79204-44-7

• 40828-46-4

Reference: [1] Angewandte Chemie - International Edition, 2014, vol. 53, # 9, p. 2428 - 2432[2] Angew. Chem., 2014, vol. 126, # 9, p. 2460 - 2464,5
[3] Advanced Synthesis and Catalysis, 2008, vol. 350, # 14-15, p. 2437 - 2442

Upstream Synthesis Route 2

• 52779-57-4

• 40828-46-4

Reference: [1] Patent: US4035376, 1977, A,

Upstream Synthesis Route 3

• 52779-85-8

• 40828-46-4

Reference: [1] Patent: US4035376, 1977, A,

Upstream Synthesis Route 4

• 66952-47-4
• 149-73-5

• 40828-46-4

Reference: [1]Liebigs Annalen der Chemie,1993,p. 641 - 644

Downstream Synthesis Route 1

• 67-56-1
• 40828-46-4

• 52841-36-8

Reference: [1]Farmaco, Edizione Scientifica,1982,vol. 37,p. 81 - 93

* For details of the synthesis route, please refer to the original source to ensure accuracy.