N-[(1S)-2-[[4-[3-(3-amino-5-chloro-2-fluorophenyl)-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-Carbamic acid methyl ester (CAS 1269440-78-9) — formula C21H25ClFN7O2, molecular weight 461.9; category organic chemicals.
| CAS Number | 1269440-78-9 |
|---|---|
| Molecular Formula | C21H25ClFN7O2 |
| Molecular Weight | 461.9 |
| LogP | 3.1 |
| Category | Organic Chemicals |
N-[(1S)-2-[[4-[3-(3-amino-5-chloro-2-fluorophenyl)-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-Carbamic acid methyl ester is a carbon-based organic compound with CAS registry number 1269440-78-9 and molecular formula C21H25ClFN7O2 (molecular weight 461.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1269440-78-9
Its molecular formula C21H25ClFN7O2 comprises 21 C, 25 H, 1 Cl, 1 F, 7 N, 2 O atoms.
Also known as: N-[(1S)-2-[[4-[3-(3-amino-5-chloro-2-fluorophenyl)-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-Carbamic acid methyl ester · (S)-1-[[4-[3-(3 - 氨基 - 5 - 氯 - 2 - 氟苯基)-1 - 异丙基 - 1H - 吡唑 - 4 - 基] 嘧啶 - 2 - 基] 氨基] 丙 - 2 - 基氨基甲酸甲酯
Category: organic chemicals
The CAS registry number of N-[(1S)-2-[[4-[3-(3-amino-5-chloro-2-fluorophenyl)-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-Carbamic acid methyl ester is 1269440-78-9.
Molecular formula C21H25ClFN7O2, molecular weight 461.9.
It is also registered under: N-[(1S)-2-[[4-[3-(3-amino-5-chloro-2-fluorophenyl)-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-Carbamic acid methyl ester, (S)-1-[[4-[3-(3 - 氨基 - 5 - 氯 - 2 - 氟苯基)-1 - 异丙基 - 1H - 吡唑 - 4 - 基] 嘧啶 - 2 - 基] 氨基] 丙 - 2 - 基氨基甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for N-[(1S)-2-[[4-[3-(3-amino-5-chloro-2-fluorophenyl)-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-Carbamic acid methyl ester (CAS 1269440-78-9), compiled from public chemistry databases.
| CAS 号 | 1269440-78-9 |
|---|---|
| PubChem CID | 70313839 |
| 分子式 | C21H25ClFN7O2 |
| IUPAC 名称 | methyl N-[(2S)-1-[[4-[3-(3-amino-5-chloro-2-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate |
| UNII（FDA） | 9QRN4VA6A2 |
| Molecular Weight | 461.9 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 461.1742289 |
| Monoisotopic Mass | 461.1742289 |
| Topological Polar Surface Area | 120 |
| Heavy Atom Count | 32 |
1269440-78-9; 9QRN4VA6A2; SCHEMBL8236410; RAQGRRSIZXWJDN-LBPRGKRZSA-N; Encorafenib Amino Carbamate Impurity; CS-0010965
(S)-1-[[4-[3-(3 - 氨基 - 5 - 氯 - 2 - 氟苯基)-1 - 异丙基 - 1H - 吡唑 - 4 - 基] 嘧啶 - 2 - 基] 氨基] 丙 - 2 - 基氨基甲酸甲酯 · CAS 1269440-78-9 · C21H25ClFN7O2. UNII 9QRN4VA6A2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (S)-1-[[4-[3-(3 - 氨基 - 5 - 氯 - 2 - 氟苯基)-1 - 异丙基 - 1H - 吡唑 - 4 - 基] 嘧啶 - 2 - 基] 氨基] 丙 - 2 - 基氨基甲酸甲酯