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1456803-45-4

European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

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2 Suppliers, 2 End Use APIs, 26 Related Intermediates

2 Suppliers
2 End Use APIs
26 Related Intermediates

Chemistry

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Also known as: 1456803-45-4, Hj6r45h29y, (2s)-2-acetamido-3-phenylpropanoic acid;(3s,5s,6r)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one, L-phenylalanine, n-acetyl-, compd. with (3s,5s,6r)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)-2-piperidinone

Molecular Formula

C₂₅H₂₇F₆N₃O₄

Molecular Weight

547.5 g/mol

InChI Key

KOUFFICNOHOFJT-RTFODOIYSA-N

FDA UNII

HJ6R45H29Y

1 2D Structure

1456803-45-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-acetamido-3-phenylpropanoic acid;(3S,5S,6R)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one

2.1.2 InChI

InChI=1S/C14H14F6N2O.C11H13NO3/c1-6-7(11-8(15)2-3-9(16)12(11)17)4-10(21)13(23)22(6)5-14(18,19)20;1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-3,6-7,10H,4-5,21H2,1H3;2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t6-,7-,10+;10-/m10/s1

2.1.3 InChI Key

KOUFFICNOHOFJT-RTFODOIYSA-N

2.2 Other Identifiers

2.2.1 UNII

HJ6R45H29Y

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1456803-45-4

2. Hj6r45h29y

3. (2s)-2-acetamido-3-phenylpropanoic Acid;(3s,5s,6r)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one

4. L-phenylalanine, N-acetyl-, Compd. With (3s,5s,6r)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)-2-piperidinone

2.4 Create Date

2024-09-10

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₇F₆N₃O₄
Molecular Weight	547.5 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	113
Heavy Atom Count	38
Formal Charge	0
Complexity	679
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.