Suanfarma Suanfarma

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CAS 148757-89-5 manufacturers and suppliers on PharmaCompass

PharmaCompass
CAS 148757-89-5
Also known as:
Molecular Formula
C24H21N3O2S2
Molecular Weight
447.6  g/mol
InChI Key
UUNHQIDHBVQGGD-GGQBFWCMSA-N

1 2D Structure

CAS 148757-89-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2E)-2-[(5E)-5-[(4-methylsulfanylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
2.1.2 InChI
InChI=1S/C24H21N3O2S2/c1-30-19-11-9-17(10-12-19)15-21-23(29)27(18-7-3-2-4-8-18)24(31-21)20(16-25)22(28)26-13-5-6-14-26/h2-4,7-12,15H,5-6,13-14H2,1H3/b21-15+,24-20+
2.1.3 InChI Key
UUNHQIDHBVQGGD-GGQBFWCMSA-N
2.1.4 Canonical SMILES
CSC1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C(=O)N3CCCC3)S2)C4=CC=CC=C4
2.1.5 Isomeric SMILES
CSC1=CC=C(C=C1)/C=C/2\C(=O)N(/C(=C(/C#N)\C(=O)N3CCCC3)/S2)C4=CC=CC=C4
2.2 Create Date
2005-07-15
3 Chemical and Physical Properties
Molecular Weight 447.6 g/mol
Molecular Formula C24H21N3O2S2
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area115
Heavy Atom Count31
Formal Charge0
Complexity808
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content
148757-89-5
Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...
Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.
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