Basic information
- CAS
95923-66-3- Standard SMILES
CCOC(=O)C(C)(C)CCCCOc1ccc(OCCCCCn2ccnc2)cc1- InChIKey
OFCXZLBZYMCRLB-UHFFFAOYSA-N- Molecular formula
- C24H36N2O4
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.26750763
Overview
structure given in first source
Names & identifiers
- Preferred name
- YM 534
- IUPAC
- ethyl 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoate
- English name
- YM 534
- Molecular formula
- C24H36N2O4
- Molecular weight
- 416.55364
Names & synonyms
95923-66-3YM 534YM-534DTXSID30242032RefChem:195676DTXCID30164523Ethyl 6-(4-((5-(1H-imidazol-1-yl)pentyl)oxy)phenoxy)-2,2-dimethylhexanoateETHYL 6-[4-(5-IMIDAZOL-1-YLPENTOXY)PHENOXY]-2,2-DIMETHYL-HEXANOATEethyl 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoateEthyl 6-(p-(5-(1-imidazolyl)pentyloxy)phenoxy)-2,2-dimethylhexanoateHexanoic acid, 6-(4-((5-(1H-imidazol-1-yl)pentyl)oxy)phenoxy)-2,2-dimethyl-, ethyl ester6-(4-((5-(1H-imidazol-1-yl)pentyl)oxy)phenoxy)-2,2-dimethylhexanoic acid ethyl ester
Show more names
YM-534|||YM534
ethyl 6-[p-[5-(1-imidazolyl)pentyloxy]phenoxy]-2,2-dimethylhexanoateEthyl 6-(4-{[5-(1H-imidazol-1-yl)pentyl]oxy}phenoxy)-2,2-dimethylhexanoateorb1694731orb2901080SCHEMBL9786392OFCXZLBZYMCRLB-UHFFFAOYSA-NAKOS030600084T35262
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [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]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
8 records
Compound notes
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