Almelo

CAS 881677-11-8

Chemistry, 4 End Use API, 19 Related Intermediates

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Also known as: 881677-11-8, 1h-pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-, 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde, 5-(2-fluorophenyl)-1-(pyridine-3-sulfonyl)-1h-pyrrole-3-carbaldehyde, 5-(2-fluorophenyl)-1-[(pyridin-3-yl)sulfonyl]-1h-pyrrole-3-carboxaldehyde, Vonoprazan impurity 14

Molecular Formula

C₁₆H₁₁FN₂O₃S

Molecular Weight

330.3 g/mol

InChI Key

IXCSYEVJOAWXRH-UHFFFAOYSA-N

1 2D Structure

CAS 881677-11-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde

2.1.2 InChI

InChI=1S/C16H11FN2O3S/c17-15-6-2-1-5-14(15)16-8-12(11-20)10-19(16)23(21,22)13-4-3-7-18-9-13/h1-11H

2.1.3 InChI Key

IXCSYEVJOAWXRH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C2=CC(=CN2S(=O)(=O)C3=CN=CC=C3)C=O)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 881677-11-8

2. 1h-pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-

3. 5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde

4. 5-(2-fluorophenyl)-1-(pyridine-3-sulfonyl)-1h-pyrrole-3-carbaldehyde

5. 5-(2-fluorophenyl)-1-[(pyridin-3-yl)sulfonyl]-1h-pyrrole-3-carboxaldehyde

6. Vonoprazan Impurity 14

7. Ec 807-719-6

8. Schembl193905

9. Amy1825

10. Dtxsid401155353

11. Mfcd11875978

12. Zinc96304519

13. 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-1h-pyrrole-3-carboxaldehyde

14. Sb18162

15. Ac-29286

16. Ds-19698

17. Cs-0160769

18. Ft-0701322

19. C76907

20. A854835

21. 5-(2-fluorophenyl)-1-(3-pyridylsulfonyl)-1h-pyrrole-3-carbaldehyde

2.3 Create Date

2014-11-09

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₁FN₂O₃S
Molecular Weight	330.3 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	330.04744155 g/mol
Monoisotopic Mass	330.04744155 g/mol
Topological Polar Surface Area	77.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	522
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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5-(2-Fluorophenyl)-1H-Pyrrole- 3-Carbaldehyde

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CAS Number

CAS-881674-56-2

End Use API

Vonoprazan Fumarate

About the Company

Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredient...

Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredients (APIs) and specialty fine chemicals. With a diverse product portfolio coupled with innovative R&D, Almelo boasts of having various reputed domestic and multi-national companies as its customers.

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