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CAS 161798-01-2 manufacturers and suppliers on PharmaCompass

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CAS 161798-01-2
Also known as:
Molecular Formula
C14H13NO4S
Molecular Weight
291.32  g/mol
InChI Key
UIJOKDCOTANGQI-LCYFTJDESA-N

1 2D Structure

CAS 161798-01-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (2Z)-2-(3-formyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methyl-3H-1,3-thiazole-5-carboxylate
2.1.2 InChI
InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,15H,3H2,1-2H3/b13-9-
2.1.3 InChI Key
UIJOKDCOTANGQI-LCYFTJDESA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=C(NC(=C2C=CC(=O)C(=C2)C=O)S1)C
2.1.5 Isomeric SMILES
CCOC(=O)C1=C(N/C(=C/2\C=CC(=O)C(=C2)C=O)/S1)C
2.2 Create Date
2010-06-17
3 Chemical and Physical Properties
Molecular Weight 291.32 g/mol
Molecular Formula C14H13NO4S
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass291.05652907 g/mol
Monoisotopic Mass291.05652907 g/mol
Topological Polar Surface Area97.8 A^2
Heavy Atom Count20
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
161798-01-2
Febuxostat
Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...
Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.
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