Xian Caijing Opto Electrical Science Technology | 881386-12-5 | Related Intermediates | Manufacturers & Suppliers

881386-12-5

Chemistry, 1 End Use API, 91 Related Intermediates

Manufacturers/Suppliers

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1 Suppliers

Also known as: 881386-12-5, Ethyl 6-[4-(5-bromopentanoylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate, Schembl15174803, Zinc100469416

Molecular Formula

C₂₇H₂₉BrN₄O₅

Molecular Weight

569.4 g/mol

InChI Key

OUHRTPGKRLEZKI-UHFFFAOYSA-N

FDA UNII

NR729P2SS7

1 2D Structure

881386-12-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 6-[4-(5-bromopentanoylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

2.1.2 InChI

InChI=1S/C27H29BrN4O5/c1-3-37-27(35)24-22-15-17-31(19-9-7-18(8-10-19)29-23(33)6-4-5-16-28)26(34)25(22)32(30-24)20-11-13-21(36-2)14-12-20/h7-14H,3-6,15-17H2,1-2H3,(H,29,33)

2.1.3 InChI Key

OUHRTPGKRLEZKI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(C=C3)NC(=O)CCCCBr)C4=CC=C(C=C4)OC

2.2 Other Identifiers

2.2.1 UNII

NR729P2SS7

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 881386-12-5

2. Ethyl 6-[4-(5-bromopentanoylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

3. Schembl15174803

4. Zinc100469416

2.4 Create Date

2013-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₉BrN₄O₅
Molecular Weight	569.4 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	103
Heavy Atom Count	37
Formal Charge	0
Complexity	785
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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3-morpholino-1-(4-(2-oxopiperidin-1-yl)phenyl)-5,6-dihy...

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CAS Number

545445-44-1

End Use API

Apixaban

About the Company

Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech ...

Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech Development Zone with a registered capital of 90 million Yuan, is a high-tech joint-stock enterprise and has been engaged in manufacture, R & D and trade. Our major investors are well-known domestic institute and companies including: Xi'an Modern Chemistry Research Institute, Xi'an DongFang Group.,Ltd, Beijing Minghang Science & Technology Development Co., Ltd. etc. We have the self-supported import and export right and our business is dedicated to liquid crystal display materials, organic electroluminescent materials and fine chemicals.

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