Name: Name:(S)-Ethyl 2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate
Brand: AABLOCKS
SKU: AA001F3T
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA001F3T

Chemical Name: (S)-Ethyl 2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate

CAS Number: 147770-06-7

Molecular Formula: C29H40N2O4

Molecular Weight: 480.6389

MDL Number: MFCD12911752

SMILES: CCOc1cc(ccc1C(=O)OCC)CC(=O)N[C@H](c1ccccc1N1CCCCC1)CC(C)C

Properties

Complexity: 649

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 35

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 12

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 5.9

Downstream Synthesis Route

99469-99-5

147769-93-5

147770-06-7

[1]Patent:EP2177221,2010,A1.Locationinpatent:Page/Pagecolumn13

[2]Patent:WO2004/103983,2004,A1.Locationinpatent:Page7

[3]Patent:US2008/200684,2008,A1.Locationinpatent:Page/Pagecolumn3-4

[4]Patent:US2010/197732,2010,A1.Locationinpatent:Page/Pagecolumn13

[5]AsianJournalofChemistry,2013,vol.25,p.9345-9350

[6]Patent:CN109970681,2019,A.Locationinpatent:Paragraph0043;0051;0052

[7]Chimia,2006,vol.60,p.593-597

[8]Patent:US2008/200684,2008,A1.Locationinpatent:Page/Pagecolumn3

[9]JournalofMedicinalChemistry,1998,vol.41,p.5219-5246

[10]Patent:US5312924,1994,A

[11]Patent:EP2019097,2009,A1.Locationinpatent:Page/Pagecolumn8

99469-99-5

(S)-3-Methyl-1-(2-piperidin-1-yl-phenyl)-butylamine;compoundwith(S)-2-acetylamino-pentanedioicacid

147770-06-7

[1]JournalofMedicinalChemistry,1998,vol.41,p.5219-5246

108175-51-5

147770-06-7

[1]JournalofMedicinalChemistry,1998,vol.41,p.5219-5246

147770-06-7

135062-02-1

[1]JournalofMedicinalChemistry,1998,vol.41,p.5219-5246

[2]Patent:CN109970681,2019,A.Locationinpatent:Paragraph0043;0053;0054

[3]AsianJournalofChemistry,2013,vol.25,p.9345-9350

[4]Patent:US2008/200684,2008,A1.Locationinpatent:Page/Pagecolumn4

[5]Patent:US2010/197732,2010,A1.Locationinpatent:Page/Pagecolumn13-14

[6]Patent:WO2004/103983,2004,A1.Locationinpatent:Page7;8

[7]Chimia,2006,vol.60,p.593-597

[8]Patent:EP2019097,2009,A1.Locationinpatent:Page/Pagecolumn8

[9]Patent:WO2004/101540,2004,A2.Locationinpatent:Page/Pagecolumn13-14

[10]Patent:WO2004/101540,2004,A2.Locationinpatent:Page/Pagecolumn15-16

[11]Patent:EP2177221,2010,A1.Locationinpatent:Page/Pagecolumn15

110-89-4

tritylthiosemicarbazideresin

147770-06-7

[1]Chimia,2006,vol.60,p.593-597

147770-06-7 | (S)-Ethyl 2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate