Allotetrahydrodeoxycorticosterone
TL;DR: Allotetrahydrodeoxycorticosterone (CAS 567-02-2) is a chemical compound with molecular formula C21H34O3 and molecular weight 334.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
Also Known As: THDOC, 5alpha-THDOC, Tetrahydrodeoxycorticosterone, 21-Hydroxyallopregnanolone, 5-alpha-THDOC
| Molecular Formula | C21H34O3 |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.2508 |
| Heavy Atoms | 24 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 567-02-2 |
|---|---|
| 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 |
| InChIKey | CYKYBWRSLLXBOW-GDYGHMJCSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allotetrahydrodeoxycorticosterone (CAS 567-02-2), with molecular formula C21H34O3 and molecular weight 334.25 g/mol. IUPAC: 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.
Chemical Property Profile of Allotetrahydrodeoxycorticosterone
Property Insights of Allotetrahydrodeoxycorticosterone
The XLogP value of 4.2 indicates that Allotetrahydrodeoxycorticosterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Allotetrahydrodeoxycorticosterone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allotetrahydrodeoxycorticosterone has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Allotetrahydrodeoxycorticosterone?
The CAS number of Allotetrahydrodeoxycorticosterone is 567-02-2.
What is the molecular formula of Allotetrahydrodeoxycorticosterone?
The molecular formula of Allotetrahydrodeoxycorticosterone is C21H34O3.
What is the molecular weight of Allotetrahydrodeoxycorticosterone?
The molecular weight of Allotetrahydrodeoxycorticosterone is 334.25 g/mol.
Where can I buy Allotetrahydrodeoxycorticosterone?
You can request a quote for Allotetrahydrodeoxycorticosterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allotetrahydrodeoxycorticosterone?
Yes, KEHONG BIO provides custom synthesis services for Allotetrahydrodeoxycorticosterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.