Name: Name:ethyl 4-((3S,5R)-3,5-diMethylpiperazin-1-yl)benzoate
Brand: AABLOCKS
SKU: AA00BJ6K
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00BJ6K

Chemical Name: ethyl 4-((3S,5R)-3,5-diMethylpiperazin-1-yl)benzoate

CAS Number: 234082-05-4

Molecular Formula: C15H22N2O2

Molecular Weight: 262.3474

MDL Number: MFCD27937195

SMILES: CCOC(=O)c1ccc(cc1)N1C[C@H](C)N[C@@H](C1)C

Properties

Complexity: 291

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 2

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 19

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.5

Downstream Synthesis Route

451-46-7

1013625-96-1

234082-05-4

[1]CurrentPatentAssignee:ShanghaiInstituteofMateriaMedica(in:CAS);CHINESEACADEMYOFSCIENCES-CN106146493,2016,ALocationinpatent:Paragraph0172;0173;0174;0175

[2]Wei,Manman;Peng,Xia;Xing,Li;Dai,Yang;Huang,Ruimin;Geng,Meiyu;Zhang,Ao;Ai,Jing;Song,Zilan[EuropeanJournalofMedicinalChemistry,2018,vol.154,p.9-28]

[3]Blacker,A.John;Moran-Malagon,Gabriel;Powell,Lyn;Reynolds,William;Stones,Rebecca;Chapman,MichaelR.[OrganicProcessResearchandDevelopment,2018,vol.22,#9,p.1086-1091]

[4]Blacker,A.John;Moran-Malagon,Gabriel;Powell,Lyn;Reynolds,William;Stones,Rebecca;Chapman,MichaelR.[OrganicProcessResearchandDevelopment,2018]

[5]Bu,Lehao;Chen,Wenxin;Gao,Lei;Mao,Yongjun;Sun,Cong;Wang,Han[Heterocycles,2020,vol.100,#2,p.276-282]

[6]CurrentPatentAssignee:ASTRAZENECAPLC-US2008/153812,2008,A1Locationinpatent:Page/Pagecolumn123;145

[7]CurrentPatentAssignee:SHANGHAIUNIVERSITYOFENGINEERINGSCIENCES-CN111072638,2020,ALocationinpatent:Paragraph0112-0117

[8]Kubota,Dai;Ishikawa,Minoru;Yamamoto,Mikio;Murakami,Shoichi;Hachisu,Mitsugu;Katano,Kiyoaki;Ajito,Keiichi[BioorganicandMedicinalChemistry,2006,vol.14,#7,p.2089-2108]

[9]CurrentPatentAssignee:MEIJIHOLDINGSCO.,LTD-US6451800,2002,B1

234082-05-4

2615357-33-8

1035270-39-3

[1]CurrentPatentAssignee:ABBISKOTHERAPEUTICSCO.,LTD.;WUXIHEYUBIOMEDICALTECH-CN115819239,2023,ALocationinpatent:Paragraph0088;0166-0170

234082-05-4 | ethyl 4-((3S,5R)-3,5-diMethylpiperazin-1-yl)benzoate