Cas no 366495-94-5 (16beta-Hydroxy-17beta-estradiol-2,4-d2)
16β-Hydroxy-17β-estradiol-2,4-d2 is a deuterium-labeled analog of 16β-hydroxyestradiol, a metabolite of estradiol. The incorporation of deuterium atoms at the 2 and 4 positions enhances its utility in mass spectrometry-based studies, improving detection sensitivity and reducing metabolic interference. This compound serves as a valuable internal standard for quantitative analysis of estrogen metabolites in biological matrices, ensuring high accuracy and reproducibility. Its stable isotopic labeling minimizes background noise, facilitating precise measurements in pharmacokinetic and metabolic research. The product is particularly useful in studies involving estrogen metabolism, hormone-related disorders, and biomarker development, offering researchers a reliable tool for trace-level quantification.
366495-94-5 structure
Product Name:16beta-Hydroxy-17beta-estradiol-2,4-d2
CAS No:366495-94-5
MF:C18H24O3
MW:290.393689155579
CID:304727
PubChem ID:76973777
Update Time:2025-05-28
16beta-Hydroxy-17beta-estradiol-2,4-d2 Chemical and Physical Properties
Names and Identifiers
-
- Estra-1,3,5(10)-triene-2,4-d2-3,16,17-triol,(16b,17b)- (9CI)
- HY-130046S1
- (8R,9S,13S,14S,16S,17R)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
- DTXSID901028105
- A-Hydroxy-17
- 366495-94-5
- (16beta,17beta)-Estra-1,3,5(10)-triene-2,4-D2-3,16,17-triol
- Estra-1,3,5(10)-triene-2,4-d2-3,16,17-triol, (16?,17?)-
- 16-Epiestriol-d2
- A-estradiol-2,4-d2
- F91002
- 16
- (1R,2S,3aS,3bR,9bS,11aS)-11a-methyl(6,8-?H?)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2,7-triol
- CS-0437773
- 16beta-Hydroxy-17beta-estradiol-2,4-d2
-
- Inchi： 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1/i3D,8D
- InChI Key： PROQIPRRNZUXQM-FMPUZFRRSA-N
- SMILES： O[C@H]1[C@H](C[C@H]2[C@@H]3CCC4C([2H])=C(C([2H])=CC=4[C@H]3CC[C@@]21C)O)O
Computed Properties
- Exact Mass: 290.18509812g/mol
- Monoisotopic Mass: 290.18509812g/mol
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 411
- 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: 2.5
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- PSA: 60.69000
- LogP: 2.58000
16beta-Hydroxy-17beta-estradiol-2,4-d2 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E586507-5mg |
16beta-Hydroxy-17beta-estradiol-2,4-d2 |
366495-94-5 | 5mg |
$ 884.00 | 2023-04-14 | ||
| TRC | E586507-10mg |
16beta-Hydroxy-17beta-estradiol-2,4-d2 |
366495-94-5 | 10mg |
$ 1493.00 | 2023-04-14 | ||
| 1PlusChem | 1P00C5UF-10mg |
16BETA-HYDROXY-17BETA-ESTRADIOL-2,4-D2 |
366495-94-5 | 10mg |
$1462.00 | 2025-02-25 | ||
| 1PlusChem | 1P00C5UF-5mg |
16BETA-HYDROXY-17BETA-ESTRADIOL-2,4-D2 |
366495-94-5 | 5mg |
$933.00 | 2025-02-25 | ||
| A2B Chem LLC | AF66647-1mg |
16BETA-HYDROXY-17BETA-ESTRADIOL-2,4-D2 |
366495-94-5 | 98%D | 1mg |
$413.00 | 2024-04-20 | |
| A2B Chem LLC | AF66647-5mg |
16BETA-HYDROXY-17BETA-ESTRADIOL-2,4-D2 |
366495-94-5 | 98%D | 5mg |
$913.00 | 2024-04-20 | |
| A2B Chem LLC | AF66647-10mg |
16BETA-HYDROXY-17BETA-ESTRADIOL-2,4-D2 |
366495-94-5 | 98 | 10mg |
$1462.00 | 2024-04-20 |
16beta-Hydroxy-17beta-estradiol-2,4-d2 Related Literature
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1. The A-CD analogue of 16β,17α-estriol is a potent and highly selective estrogen receptor β agonistClaire Sauvée,Anja Sch?fer,Henrik Sundén,Jian-Nong Ma,Anna-Lena Gustavsson,Ethan S. Burstein,Roger Olsson Med. Chem. Commun. 2013 4 1439
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2. The synthesis of ?strogen monoglucuronidesJ. S. Elce,J. G. D. Carpenter,A. E. Kellie J. Chem. Soc. C 1967 542
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3. Novel and efficient synthesis of estriol and its 16-glucuronide via 2,4,16α-tribromoestroneMitsuteru Numazawa,Masao Nagaoka,Masachika Tsuji,Yoshio Osawa J. Chem. Soc. Perkin Trans. 1 1983 121
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D. F. Elliott,G. S. Marks,A. M. White,C. P. Fawcett,V. H. T. James Annu. Rep. Prog. Chem. 1962 59 384
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