Basic information
- CAS
1329503-19-6- Standard SMILES
COCOc1ccc(N2CCN(c3ccc(NC(=O)Oc4ccccc4)cc3)CC2)cc1- InChIKey
UFJQKFGDGIVFLZ-UHFFFAOYSA-N- Molecular formula
- C25H27N3O4
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.20015635
Names & identifiers
- Preferred name
- Phenyl (4-{4-[4-(methoxymethoxy)phenyl]piperazin-1-yl}phenyl)carbamate
- IUPAC
- phenyl N-[4-[4-[4-(methoxymethoxy)phenyl]piperazin-1-yl]phenyl]carbamate
- English name
- 4-[4-(4-O-Methoxymethyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid Phenyl Ester
- Molecular formula
- C25H27N3O4
- Molecular weight
- 433.5
Names & synonyms
1329503-19-64-[4-(4-O-Methoxymethyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid Phenyl Esterphenyl N-[4-[4-[4-(methoxymethoxy)phenyl]piperazin-1-yl]phenyl]carbamatePhenyl (4-{4-[4-(methoxymethoxy)phenyl]piperazin-1-yl}phenyl)carbamatePhenyl (4-(4-(4-(methoxymethoxy)phenyl)piperazin-1-yl)phenyl)carbamateDTXSID60857991UFJQKFGDGIVFLZ-UHFFFAOYSA-NCarbamic acid, N-[4-[4-[4-(methoxymethoxy)phenyl]-1-piperazinyl]phenyl]-, phenyl ester
Database identifiers
- CAS
1329503-19-6- PubChem CID
- 71750100
- DTXSID
DTXSID60857991
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- solubility
- Chloroform, Dichloromethane
- form
- Foam
- color
- Black
Chemistry & industry
Applications
UsesIntermediate in the production of Posaconazole.
Suppliers5 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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