Carbamic acid,[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, 1,1-dimethylethylester (CAS 486460-23-5) — formula C21H23F6N5O3, molecular weight 507.4; category organic chemicals.
| CAS Number | 486460-23-5 |
|---|---|
| Molecular Formula | C21H23F6N5O3 |
| Molecular Weight | 507.4 |
| LogP | 2.3 |
| Category | Organic Chemicals |
Carbamic acid,[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, 1,1-dimethylethylester is a carbon-based organic compound with CAS registry number 486460-23-5 and molecular formula C21H23F6N5O3 (molecular weight 507.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 486460-23-5
Its molecular formula C21H23F6N5O3 comprises 21 C, 23 H, 6 F, 5 N, 3 O atoms.
Also known as: Carbamic acid,[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, 1,1-dimethylethylester · 西他列汀N-Boc杂质
Category: organic chemicals
The CAS registry number of Carbamic acid,[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, 1,1-dimethylethylester is 486460-23-5.
Molecular formula C21H23F6N5O3, molecular weight 507.4.
It is also registered under: Carbamic acid,[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, 1,1-dimethylethylester, 西他列汀N-Boc杂质.
Category: Organic Chemicals.
Independent reference data for Carbamic acid,[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, 1,1-dimethylethylester (CAS 486460-23-5), compiled from public chemistry databases.
| CAS 号 | 486460-23-5 |
|---|---|
| PubChem CID | 46836576 |
| 分子式 | C21H23F6N5O3 |
| IUPAC 名称 | tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate |
| UNII（FDA） | C2VCH5A4VG |
| Molecular Weight | 507.4 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 507.17050859 |
| Monoisotopic Mass | 507.17050859 |
| Topological Polar Surface Area | 89.4 |
| Heavy Atom Count | 35 |
N-Boc-Sitagliptin; 486460-23-5; C2VCH5A4VG; RefChem:202080; Sitagliptin N-Boc Impurity; MFCD29044848; C21H23F6N5O3; N-Boc Sitagliptin; Sitagliptin Impurity H; Sitagliptin Impurity 22; UNII-C2VCH5A4VG; SCHEMBL1509255; SCHEMBL29361968; DTXSID20676589; EBC-13596; AS-82947
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%), H373 (100%), H412 (100%) |
|---|
西他列汀N-Boc杂质 · CAS 486460-23-5 · C21H23F6N5O3. UNII C2VCH5A4VG.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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