Basic information
- CAS
404844-11-7- Standard SMILES
Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1- InChIKey
WUGWDFMSJPJUEZ-UHFFFAOYSA-N- Molecular formula
- C24H20ClN5O
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.135638
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide
- IUPAC
- 4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
- English name
- 4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
- Molecular formula
- C24H20ClN5O
- Molecular weight
- 429.9
Names & synonyms
404844-11-7493YC8TX2Q4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamideRefChem:10700664-(Chloromethyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamidePDGFR|A kinase inhibitor 24-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamideN-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-4-chloromethyl BenzamideMFCD098410014-(CHLOROMETHYL)-N-(4-METHYL-3-{[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENYL)BENZAMIDE
Show more names
Imatinib Impurity 43Imatinib impurities3PDGFRα kinase inhibitor 2Imatinib genotoxic impurity D9Imatinib Impurity B/ Imatinib Impurity 14-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-y...
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- Melting point
- 300 °C · 300°C (dec)
- Density
- 1.329 · 1.329
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.99 · 12.99±0.70(Predicted)
- color
- Pale Yellow to Light Beige
- CAS DataBase Reference
- 404844 · 404844-11-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesGleevec Impurity
Upstream & downstream products
Upstream raw materials
Suppliers87 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.
Related reactions
18 records
Compound notes
Loading…