3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl)-, ethyl ester, (3R)- (CAS 145821-58-5) — formula C22H29NO2S2, molecular weight 403.6; category organic chemicals.
| CAS Number | 145821-58-5 |
|---|---|
| Molecular Formula | C22H29NO2S2 |
| Molecular Weight | 403.6 |
| LogP | 5.6 |
| Category | Organic Chemicals |
3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl)-, ethyl ester, (3R)- is a carbon-based organic compound with CAS registry number 145821-58-5 and molecular formula C22H29NO2S2 (molecular weight 403.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 145821-58-5
Its molecular formula C22H29NO2S2 comprises 22 C, 29 H, 1 N, 2 O, 2 S atoms.
Also known as: 3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl)-, ethyl ester, (3R)- · 3-哌啶甲酸，1-(4,4-双(3-甲基-2-噻吩基)-3-丁烯-1-基)-，乙酯，(3R)-
Category: organic chemicals
The CAS registry number of 3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl)-, ethyl ester, (3R)- is 145821-58-5.
Molecular formula C22H29NO2S2, molecular weight 403.6.
It is also registered under: 3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl)-, ethyl ester, (3R)-, 3-哌啶甲酸，1-(4,4-双(3-甲基-2-噻吩基)-3-丁烯-1-基)-，乙酯，(3R)-.
Category: Organic Chemicals.
Independent reference data for 3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl)-, ethyl ester, (3R)- (CAS 145821-58-5), compiled from public chemistry databases.
| CAS Registry Number | 145821-58-5 |
|---|---|
| PubChem CID | 11555813 |
| Molecular formula | C22H29NO2S2 |
| IUPAC name | ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate |
| UNII (FDA) | DV2DX6QW4G |
| Molecular Weight | 403.6 |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 403.16397151 |
| Monoisotopic Mass | 403.16397151 |
| Topological Polar Surface Area | 86 |
| Heavy Atom Count | 27 |
Tiagabine ethyl ester; 145821-58-5; Ethyl tiagabinate; DV2DX6QW4G; UNII-DV2DX6QW4G; Ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate; 2-thienyl)-3-butenyl]-, ethyl ester, (3R)-; Ethyl (3R)-1-(4,4-bis(3-methylthien-2-yl)-3-butenyl)piperidine-3-carboxylate; Ethyl (3R)-1-(4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl)-3-piperidinecarboxylate; 3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl)-, ethyl ester, (3R)-; PIP017; DTXSID70468496; NSGCWILIYQUGIO-GOSISDBHSA-N; ETHYL (3R)-1-[4,4-BIS(3-METHYLTHIOPHEN-2-YL)BUT-3-EN-1-YL]PIPERIDINE-3-CARBOXYLATE
3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl)-, ethyl ester, (3R)- · CAS 145821-58-5 · C22H29NO2S2. UNII DV2DX6QW4G.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.