Estra-1,3,5(10)-trien-17-one,2,4,16-tribromo-3-hydroxy-, (16a)- (9CI) (CAS 79258-15-4) — formula C18H19Br3O2, molecular weight 507.1; category organic chemicals.
| CAS Number | 79258-15-4 |
|---|---|
| Molecular Formula | C18H19Br3O2 |
| Molecular Weight | 507.1 |
| LogP | 5.9 |
| Category | Organic Chemicals |
Estra-1,3,5(10)-trien-17-one,2,4,16-tribromo-3-hydroxy-, (16a)- (9CI) is a carbon-based organic compound with CAS registry number 79258-15-4 and molecular formula C18H19Br3O2 (molecular weight 507.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 79258-15-4
Its molecular formula C18H19Br3O2 comprises 18 C, 19 H, 3 Br, 2 O atoms.
Also known as: Estra-1,3,5(10)-trien-17-one,2,4,16-tribromo-3-hydroxy-, (16a)- (9CI) · Estra-1,3,5(10)-三烯-17-酮,2,4,16-三溴-3-羟基-,(16a)-(9CI)
Category: organic chemicals
The CAS registry number of Estra-1,3,5(10)-trien-17-one,2,4,16-tribromo-3-hydroxy-, (16a)- (9CI) is 79258-15-4.
Molecular formula C18H19Br3O2, molecular weight 507.1.
It is also registered under: Estra-1,3,5(10)-trien-17-one,2,4,16-tribromo-3-hydroxy-, (16a)- (9CI), Estra-1,3,5(10)-三烯-17-酮,2,4,16-三溴-3-羟基-,(16a)-(9CI).
Category: Organic Chemicals.
Independent reference data for Estra-1,3,5(10)-trien-17-one,2,4,16-tribromo-3-hydroxy-, (16a)- (9CI) (CAS 79258-15-4), compiled from public chemistry databases.
| CAS 号 | 79258-15-4 |
|---|---|
| PubChem CID | 388134 |
| 分子式 | C18H19Br3O2 |
| IUPAC 名称 | (8R,9S,13S,14S)-2,4,16-tribromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Molecular Weight | 507.1 |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 505.89147 |
| Monoisotopic Mass | 503.89352 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 23 |
79258-15-4; 2,4,16-Tribromo-3-hydroxyestra-1,3,5(10)-trien-17-one; NSC682689; C18H19Br3O2; 2,4,16alpha-Tribromo Estrone; CHEMBL1987081; MFCD18252574; AKOS030254509; NSC-682689; NCI60_029596; 2,16-Tribromoestra-1,3,5(10)-trien-3-ol-17-one
Estra-1,3,5(10)-三烯-17-酮,2,4,16-三溴-3-羟基-,(16a)-(9CI) · CAS 79258-15-4 · C18H19Br3O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.