Basic information
- CAS
162326-86-5- Standard SMILES
C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1csc(C(F)(F)F)n1- InChIKey
YVIXXPCJZAUQHJ-YGRLFVJLSA-N- Molecular formula
- C17H19F3N2O4S
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.10176275
Overview
Cp-114271 is a monocarboxylic acid.
Names & identifiers
- Preferred name
- CP-114271
- IUPAC
- 2-[4-[(2R)-2-[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetic acid
- English name
- CP-114271
- Molecular formula
- C17H19F3N2O4S
- Molecular weight
- 404.4
Names & synonyms
CP-114271162326-86-5UL-TG 307UL-TG-307Acetic acid, (4-((2R)-2-(((2S)-2-hydroxy-2-(2-(trifluoromethyl)-4-thiazolyl)ethyl)amino)propyl)phenoxy)-CY8W406YBXAcetic acid, (4-(2-((2-hydroxy-2-(2-(trifluoromethyl)-4-thiazolyl)ethyl)amino)propyl)phenoxy)-, (S-(R*,S*))-Acetic acid, 2-(4-((2R)-2-(((2S)-2-hydroxy-2-(2-(trifluoromethyl)-4-thiazolyl)ethyl)amino)propyl)phenoxy)-DTXCID0027274RefChem:128311DTXSID2047274UNII-CY8W406YBX
Show more names
Acetic acid, 2-[4-[(2R)-2-[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)-4-thiazolyl]ethyl]amino]propyl]phenoxy]-
YVIXXPCJZAUQHJ-YGRLFVJLSA-Norb1697712SCHEMBL29546826CHEBI:167796AKOS040751264T31038Q272758922-[4-[(2R)-2-[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetic acid
Database identifiers
- CAS
162326-86-5
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- FDA UNII
- 8 W406YBX · CY8W406YBX
Chemistry & industry
Suppliers3 total
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Cp-114271 is a monocarboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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