The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items THDOC - Moligand™, ≥95%(HPLC) , CAS No.567-02-2
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%(HPLC) Synonyms
3beta,21-Dihydroxy-5alpha-pregnan-20-one | Allotetrahydrocortexone | deoxycorticosterone-21-aminopropane | HY-123489 | A8Z | BRD-K36764776-001-01-4 | 21-Hydroxyallopregnanolone | EINECS 209-300-8 | (3?,5?)-3,21-Dihydroxypregnan-20-one | Aradinum | NSC 113
Shipped In
Ice chest + Ice pads
🧪
Why this grade Moligand™, ≥95%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
📋
Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
📚
Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
3beta, 21-Dihydroxy-5alpha-pregnan-20-one | Allotetrahydrocortexone | deoxycorticosterone-21-aminopropane | HY-123489 | A8Z | BRD-K36764776-001-01-4 | 21-Hydroxyallopregnanolone | EINECS 209-300-8 | (3?, 5?)-3, 21-Dihydroxypregnan-20-one | Aradinum | NSC 113
Specifications & Purity
Moligand™, ≥95%(HPLC)
Biochemical and Physiological Mechanisms
Positive modulator of GABAAreceptors. Potentiates neuronal response to low concentrations of GABA at α4β1δ GABAAreceptorsin vitro. Endogenous neurosteroid.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O IUPAC Name 2-hydroxy-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone InChIKey CYKYBWRSLLXBOW-GDYGHMJCSA-N INCHI 1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1 Isomeric SMILES C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O WGK Germany 3 Molecular Weight 334.49 Reaxy-Rn 3391514 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3391514&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Lipids and lipid-like molecules Class Steroids and steroid derivatives Subclass Hydroxysteroids Intermediate Tree Nodes Not available Direct Parent 21-hydroxysteroids Alternative Parents Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-alpha-hydroxysteroids Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homopolycyclic compounds Substituents Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 20-oxosteroid - 3-hydroxysteroid - 3-alpha-hydroxysteroid - Oxosteroid - Alpha-hydroxy ketone - Cyclic alcohol - Secondary alcohol - Ketone - Organic oxygen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aliphatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. External Descriptors Glycine conjugates Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 33.45, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 33.45, Max Conc. mM: 100 Molecular Weight 334.500 g/mol XLogP3 4.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 334.251 Da Monoisotopic Mass 334.251 Da Topological Polar Surface Area 57.500 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 517.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 8 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
G2516482