Cas no 57456-71-0 (Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, 16-(bromoacetate), (16a,17b)- (9CI))
57456-71-0 structure
Product Name:Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, 16-(bromoacetate), (16a,17b)- (9CI)
CAS No:57456-71-0
MF:C21H27BrO4
MW:423.34068608284
CID:373873
PubChem ID:66404
Update Time:2025-04-19
Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, 16-(bromoacetate), (16a,17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, 16-(bromoacetate), (16a,17b)- (9CI)
- (17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl) 2-bromoacetate
- 16 alpha-bromoacetoxyestradiol-3-methyl ether
- [(8R,9S,13S,14S,16R,17R)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate
- 57456-71-0
- DTXSID20972932
- 16alpha-Bromoacetoxyestradiol-3-methyl ether
- Estra-1,3,5(10)-triene-16,17-diol, 3-methoxy-, 16-(bromoacetate), (16alpha,17beta)-
- 17-Hydroxy-3-methoxyestra-1(10),2,4-trien-16-yl bromoacetate
-
- Inchi： 1S/C21H27BrO4/c1-21-8-7-15-14-6-4-13(25-2)9-12(14)3-5-16(15)17(21)10-18(20(21)24)26-19(23)11-22/h4,6,9,15-18,20,24H,3,5,7-8,10-11H2,1-2H3/t15-,16-,17+,18-,20+,21+/m1/s1
- InChI Key： WXFJKUDDKZJIRY-ORJOSYTKSA-N
- SMILES： BrCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4C=C(C=CC=4[C@H]3CC[C@]2(C)[C@H]1O)OC
Computed Properties
- Exact Mass: 422.10931
- Monoisotopic Mass: 422.10927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 540
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, 16-(bromoacetate), (16a,17b)- (9CI) Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
57456-71-0 (Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, 16-(bromoacetate), (16a,17b)- (9CI)) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent