tert-Butyl 4-(4-Methyl-1-piperazinyl)-2-[(4-tetrahydropyranyl)amino]benzoate - CAS 1034975-40-0
Catalog: |
BB001158 |
Product Name: |
tert-Butyl 4-(4-Methyl-1-piperazinyl)-2-[(4-tetrahydropyranyl)amino]benzoate |
CAS: |
1034975-40-0 |
Synonyms: |
4-(4-methyl-1-piperazinyl)-2-(4-oxanylamino)benzoic acid tert-butyl ester; tert-butyl 4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzoate |
IUPAC Name: | tert-butyl 4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzoate |
Description: | tert-Butyl 4-(4-Methyl-1-piperazinyl)-2-[(4-tetrahydropyranyl)amino]benzoate (CAS# 1034975-40-0 ) is a useful research chemical. |
Molecular Weight: | 375.51 |
Molecular Formula: | C21H33N3O3 |
Canonical SMILES: | CC(C)(C)OC(=O)C1=C(C=C(C=C1)N2CCN(CC2)C)NC3CCOCC3 |
InChI: | InChI=1S/C21H33N3O3/c1-21(2,3)27-20(25)18-6-5-17(24-11-9-23(4)10-12-24)15-19(18)22-16-7-13-26-14-8-16/h5-6,15-16,22H,7-14H2,1-4H3 |
InChI Key: | ZOSCZHCLHAHQEM-UHFFFAOYSA-N |
LogP: | 3.06050 |
Publication Number | Title | Priority Date |
WO-2021197467-A1 | Multi-target anti-tumor compound, preparation method therefor and use thereof | 20200402 |
EP-3626709-A1 | Indazole compound for use in inhibiting kinase activity, composition and application thereof | 20170626 |
US-2020140419-A1 | Indazole compound for use in inhibiting kinase activity, composition and application thereof | 20170626 |
EP-3233840-A1 | Heterocyclic derivatives modulating activity of certain protein kinases | 20141216 |
EP-3233840-B1 | Heterocyclic derivatives modulating activity of certain protein kinases | 20141216 |
Complexity: | 480 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 375.25219192 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 375.25219192 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 54 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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