Cas no 1091-93-6 (3-Methoxyestra-2,5(10)-diene-17β-ol)
3-Methoxyestra-2,5(10)-diene-17β-ol is a steroidal derivative with a methoxy group at the 3-position and a hydroxyl group at the 17β-position. This compound is of interest in steroid chemistry and pharmaceutical research due to its structural modifications, which may influence receptor binding affinity and metabolic stability. The presence of the conjugated diene system (2,5(10)) and the methoxy substituent can alter its reactivity and biological activity compared to unmodified estrane derivatives. It serves as a valuable intermediate in the synthesis of more complex steroidal compounds, particularly those targeting hormonal pathways. Its well-defined structure allows for precise chemical modifications, making it useful in exploratory medicinal chemistry and biochemical studies.
1091-93-6 structure
Product Name:3-Methoxyestra-2,5(10)-diene-17β-ol
CAS No:1091-93-6
MF:C19H28O2
MW:288.424426078796
CID:197686
PubChem ID:101963
Update Time:2025-06-06
3-Methoxyestra-2,5(10)-diene-17β-ol Chemical and Physical Properties
Names and Identifiers
-
- Estra-2,5(10)-dien-17-ol,3-methoxy-, (17b)-
- 3-methoxyestra-2,5(10)-dien-17beta-ol
- (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
- 3-Methoxyestra-2,5(10)-diene-17β-ol
- 3-methoxy-17-hydroxyestra-2,5(10)-diene
- A)-3-methoxyestra-2,5(10)-dien-17-ol
- AC1L2RVK
- AC1Q55IJ
- C14682
- CTK4A6362
- KST-1A0537
- NSC67575
- SureCN7956765
- Einecs 214-130-2
- 3-Methoxy-estra-2,5(10)-diene-17β-ol
- (17b)-3-Methoxyestra-2,5(10)-dien-17-ol
- 1,4-DIHYDRO-3,17-ESTRADIOL 3-METHYL ETHER
- 1091-93-6
- UC5Y491C32
- NSC 67575
- 1,4-Dihydroestradiol 3-methyl ether
- CHEBI:34341
- NS00007095
- 3-Methoxyestra-2,5(10)-diene-17?-ol
- 3-Methoxyestra-2,5(10)-diene-17beta-ol
- SCHEMBL7956765
- W-109634
- NSC-67575
- 3-METHOXYESTRA-2,5(10)-DIEN-17.BETA.-OL
- DTXSID60148816
- ESTRA-2,5(10)-DIEN-17-OL, 3-METHOXY-, (17.BETA.)-ESTRA-2,5(10)-DIEN-17.BETA.-OL, 3-METHOXY-
- EC 214-130-2
- XFFZLECPCHQJIR-GFEQUFNTSA-N
- 3-METHYLOXYESTR-2,5(10)-DIEN-17.BETA.-OL
- 3-methoxyestra-2,5(10)-dien-17b-ol
- 3-METHOXY-19-NORANDROSTA-2(3),5(10)-DIEN-17.BETA.-OL
- 3-Methoxy-estra-2,5(10)-dien-17beta-ol
- Q27116001
- UNII-UC5Y491C32
- 3-methoxy-2,5(10)-estradien-17beta-ol
- 3-Methoxyestra-2,5(10)-dien-17-ol
- DTXCID3071307
- 3-METHYLOXYESTR-2,5(10)-DIEN-17BETA-OL
- 3-METHOXY-19-NORANDROSTA-2(3),5(10)-DIEN-17BETA-OL
- ESTRA-2,5(10)-DIEN-17-OL, 3-METHOXY-, (17BETA)-ESTRA-2,5(10)-DIEN-17BETA-OL, 3-METHOXY-
- DB-228704
-
- Inchi： 1S/C19H28O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,15-18,20H,3,5-11H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1
- InChI Key： XFFZLECPCHQJIR-GFEQUFNTSA-N
- SMILES： O[C@H]1CC[C@H]2[C@@H]3CCC4CC(=CCC=4[C@H]3CC[C@@]21C)OC
Computed Properties
- Exact Mass: 288.20900
- Monoisotopic Mass: 288.209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 504
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.3
Experimental Properties
- Density: 1.11
- Boiling Point: 437.1°Cat760mmHg
- Flash Point: 192.3°C
- Refractive Index: 1.564
- PSA: 29.46000
- LogP: 4.20430
3-Methoxyestra-2,5(10)-diene-17β-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M262775-100mg |
3-Methoxyestra-2,5(10)-diene-17β-ol |
1091-93-6 | 100mg |
$ 170.00 | 2022-06-04 | ||
| TRC | M262775-1g |
3-Methoxyestra-2,5(10)-diene-17β-ol |
1091-93-6 | 1g |
$ 1360.00 | 2022-06-04 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-485006-1mg |
3-Methoxyestra-2,5(10)-diene-17β-ol-d3, |
1091-93-6 | 1mg |
￥3008.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-485006-1 mg |
3-Methoxyestra-2,5(10)-diene-17β-ol-d3, |
1091-93-6 | 1mg |
￥3,008.00 | 2023-07-11 |
3-Methoxyestra-2,5(10)-diene-17β-ol Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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