四氢皮质酮
TL;DR: 四氢皮质酮 (CAS 68-42-8) is a chemical compound with molecular formula C21H34O4 and molecular weight 350.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢皮质酮
1-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
Also Known As: Tetrahydrocorticosterone, alloTHB, tetrahydro-Corticosterone, 3a,5b-Tetrahydrocorticosterone, CORTICOSTERONE, TETRAHYDRO-
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.25 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 68-42-8 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)O |
| InChIKey | RHQQHZQUAMFINJ-DTDWNVJFSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢皮质酮 (CAS 68-42-8), with molecular formula C21H34O4 and molecular weight 350.25 g/mol. IUPAC: 1-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone.
Chemical Property Profile of 四氢皮质酮
Property Insights of 四氢皮质酮
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢皮质酮. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 四氢皮质酮. Following Lipinski's Rule of Five, 四氢皮质酮 has 3 hydrogen bond donor(s) and 4 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 四氢皮质酮?
The CAS number of 四氢皮质酮 is 68-42-8.
What is the molecular formula of 四氢皮质酮?
The molecular formula of 四氢皮质酮 is C21H34O4.
What is the molecular weight of 四氢皮质酮?
The molecular weight of 四氢皮质酮 is 350.25 g/mol.
Where can I buy 四氢皮质酮?
You can request a quote for 四氢皮质酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢皮质酮?
Yes, KEHONG BIO provides custom synthesis services for 四氢皮质酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.