Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-, 1,1-dimethylethyl ester (CAS 2170746-99-1) — formula C20H26N4O3S, molecular weight 402.5; category organic chemicals.
| CAS Number | 2170746-99-1 |
|---|---|
| Molecular Formula | C20H26N4O3S |
| Molecular Weight | 402.5 |
| LogP | 3.7 |
| Category | Organic Chemicals |
Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-, 1,1-dimethylethyl ester is a carbon-based organic compound with CAS registry number 2170746-99-1 and molecular formula C20H26N4O3S (molecular weight 402.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2170746-99-1
Its molecular formula C20H26N4O3S comprises 20 C, 26 H, 4 N, 3 O, 1 S atoms.
Also known as: Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-, 1,1-dimethylethyl ester · 曲拉西利中间体
Category: organic chemicals
The CAS registry number of Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-, 1,1-dimethylethyl ester is 2170746-99-1.
Molecular formula C20H26N4O3S, molecular weight 402.5.
It is also registered under: Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-, 1,1-dimethylethyl ester, 曲拉西利中间体.
Category: Organic Chemicals.
Independent reference data for Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-, 1,1-dimethylethyl ester (CAS 2170746-99-1), compiled from public chemistry databases.
| CAS 号 | 2170746-99-1 |
|---|---|
| PubChem CID | 138596701 |
| 分子式 | C20H26N4O3S |
| IUPAC 名称 | tert-butyl 4-methylsulfanyl-10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-11-carboxylate |
| UNII（FDA） | E594E3Z62K |
| Molecular Weight | 402.5 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 402.17256188 |
| Monoisotopic Mass | 402.17256188 |
| Topological Polar Surface Area | 103 |
| Heavy Atom Count | 28 |
2170746-99-1; SCHEMBL20957567; SCHEMBL29886098; E594E3Z62K; H53802
曲拉西利中间体 · CAS 2170746-99-1 · C20H26N4O3S. UNII E594E3Z62K.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 曲拉西利中间体