Basic information
- CAS
1360824-57-2- Standard SMILES
COc1ccnc(CS(=O)c2nc3ccc(-n4cccc4Cl)cc3[nH]2)c1C- InChIKey
MZBIPBFZKSOJQO-UHFFFAOYSA-N- Molecular formula
- C19H17ClN4O2S
- Average molar mass
- 400.9 g/mol
Names & identifiers
- Preferred name
- 6-(2-chloropyrrol-1-yl)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
- IUPAC
- 6-(2-chloropyrrol-1-yl)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
- English name
- Ilaprazole Impurity 7
- Molecular formula
- C19H17ClN4O2S
- Molecular weight
- 400.88
Names & synonyms
1360824-57-25-(2-chloro-1H-pyrrol-1-yl)-2-(((4-methoxy-3-methylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazoleIlaprazole Impurity 71H-Benzimidazole, 6-(2-chloro-1H-pyrrol-1-yl)-2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-
Database identifiers
- CAS
1360824-57-2
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Boiling point
- 673.3 · 673.3±65.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 7.53 · 7.53±0.10(Predicted)
Chemistry & industry
Suppliers25 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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