6-(2-Chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-1-isopropyl-2-methylbenzimidazole - CAS 1231930-42-9
Catalog: |
BB005641 |
Product Name: |
6-(2-Chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-1-isopropyl-2-methylbenzimidazole |
CAS: |
1231930-42-9 |
Synonyms: |
6-(2-chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole; 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole |
IUPAC Name: | 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole |
Description: | 6-(2-Chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-1-isopropyl-2-methylbenzimidazole (CAS# 1231930-42-9) is a useful research chemical. |
Molecular Weight: | 322.74 |
Molecular Formula: | C15H13ClF2N4 |
Canonical SMILES: | CC1=NC2=C(N1C(C)C)C=C(C=C2F)C3=NC(=NC=C3F)Cl |
InChI: | InChI=1S/C15H13ClF2N4/c1-7(2)22-8(3)20-14-10(17)4-9(5-12(14)22)13-11(18)6-19-15(16)21-13/h4-7H,1-3H3 |
InChI Key: | BDVDXNYOCBUMNP-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 4.31420 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021124104-A1 | Selective cdk4/6 inhibitor cancer therapeutics | 20191216 |
WO-2021124106-A1 | Selective cdk4/6 inhibitor cancer therapeutics | 20191216 |
WO-2020135507-A1 | Polysubstituted anilinopyrimidine derivative and preparation method and application thereof | 20181226 |
WO-2020023480-A1 | Degradation of cyclin-dependent kinase 4/6 (cdk4/6) by conjugation of cdk4/6 inhibitors with e3 ligase ligand and methods of use | 20180723 |
EP-3827000-A1 | Degradation of cyclin-dependent kinase 4/6 (cdk4/6) by conjugation of cdk4/6 inhibitors with e3 ligase ligand and methods of use | 20180723 |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.0796804 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.0796804 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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Benzimidazoles
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