Basic information
- CAS
179162-64-2- Standard SMILES
CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)OC)cc3)no2)cc1- InChIKey
JLCLOAYOQLRDSK-UHFFFAOYSA-N- Molecular formula
- C22H23NO4
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.16270821
Names & identifiers
- Preferred name
- Methyl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate
- IUPAC
- methyl 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoate
- English name
- Micafungin Side Chain Methyl Ester
- Molecular formula
- C22H23NO4
- Molecular weight
- 365.42
Names & synonyms
179162-64-2Methyl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoateNXE2QT8H2ARefChem:1089443Benzoic acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-, methyl esterMFCD17014817Micafungin Side Chain Methyl EsterMethyl 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoateMETHYL 4-{5-[4-(PENTYLOXY)PHENYL]-1,2-OXAZOL-3-YL}BENZOATESCHEMBL5147869methyl 4-[5-(4-pentyloxyphenyl)isoxazol-3-yl]benzoateDTXSID70444199
Show more names
Micafungin Impurities1253Micafungin Side Chain Acid Methyl Ester4-(5-(4-(pentyloxy)phenyl)isoazole-3-yl)methyl benzoateMethyl 4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoate4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid methyl ester
JLCLOAYOQLRDSK-UHFFFAOYSA-NAKOS015917831AS-77258SY046652DB-114732CS-0152126F18338F692148
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Boiling point
- 528.9 · 528.9±50.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -3.41 · -3.41±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers30 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Related reactions
8 records
Compound notes
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