1-Boc-4-[(2-bromo-6-fluorophenyl)(1-imidazolyl)methyl]piperidine - CAS 2033173-30-5
Catalog: |
BB015809 |
Product Name: |
1-Boc-4-[(2-bromo-6-fluorophenyl)(1-imidazolyl)methyl]piperidine |
CAS: |
2033173-30-5 |
Synonyms: |
4-[(2-bromo-6-fluorophenyl)-(1-imidazolyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-[(2-bromo-6-fluorophenyl)-imidazol-1-ylmethyl]piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-[(2-bromo-6-fluorophenyl)-imidazol-1-ylmethyl]piperidine-1-carboxylate |
Description: | 1-Boc-4-[(2-bromo-6-fluorophenyl)(1-imidazolyl)methyl]piperidine (CAS# 2033173-30-5 ) is a useful research chemical. |
Molecular Weight: | 438.33 |
Molecular Formula: | C20H25BrFN3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)C(C2=C(C=CC=C2Br)F)N3C=CN=C3 |
InChI: | InChI=1S/C20H25BrFN3O2/c1-20(2,3)27-19(26)24-10-7-14(8-11-24)18(25-12-9-23-13-25)17-15(21)5-4-6-16(17)22/h4-6,9,12-14,18H,7-8,10-11H2,1-3H3 |
InChI Key: | DMJREUQVISNZHS-UHFFFAOYSA-N |
LogP: | 4.95910 |
Publication Number | Title | Priority Date |
WO-2019001551-A1 | Crystal form of imidazoisoindole derivative free base and preparation method thereof | 20170630 |
WO-2018072742-A1 | Crystalline form of free base of imidazo isoindole derivative and preparation method therefor | 20161021 |
WO-2018072743-A1 | Use of pd-1 antibody conjugated with ido inhibitor in preparing anti-tumor drug | 20161021 |
EP-3287461-A1 | Imidazo isoindole derivative, preparation method therefor and medical use thereof | 20150421 |
EP-3287461-B1 | Imidazo isoindole derivative, preparation method therefor and medical use thereof | 20150421 |
Complexity: | 508 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 437.11142 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 437.11142 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 47.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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