5alpha-Tetrahydrocortisol
TL;DR: 5alpha-Tetrahydrocortisol (CAS 302-91-0) is a chemical compound with molecular formula C21H34O5 and molecular weight 366.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-1-[(3R,5S,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Allotetrahydrocortisol, 5a-tetrahydrocortisol, Kendall's compound C, ATHF, alpha-THF
| Molecular Formula | C21H34O5 |
|---|---|
| Molecular Weight | 366.24 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.24063 |
| Heavy Atoms | 26 |
| Complexity | 593.0 |
| Melting Point | 244.5 °C |
Chemical Identifiers
| CAS Number | 302-91-0 |
|---|---|
| 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@@]4(C(=O)CO)O)C)O)O |
| InChIKey | AODPIQQILQLWGS-FDSHTENPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5alpha-Tetrahydrocortisol (CAS 302-91-0), with molecular formula C21H34O5 and molecular weight 366.24 g/mol. IUPAC: 2-hydroxy-1-[(3R,5S,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 5alpha-Tetrahydrocortisol
Property Insights of 5alpha-Tetrahydrocortisol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5alpha-Tetrahydrocortisol. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5alpha-Tetrahydrocortisol. Following Lipinski's Rule of Five, 5alpha-Tetrahydrocortisol has 4 hydrogen bond donor(s) and 5 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 5alpha-Tetrahydrocortisol?
The CAS number of 5alpha-Tetrahydrocortisol is 302-91-0.
What is the molecular formula of 5alpha-Tetrahydrocortisol?
The molecular formula of 5alpha-Tetrahydrocortisol is C21H34O5.
What is the molecular weight of 5alpha-Tetrahydrocortisol?
The molecular weight of 5alpha-Tetrahydrocortisol is 366.24 g/mol.
Where can I buy 5alpha-Tetrahydrocortisol?
You can request a quote for 5alpha-Tetrahydrocortisol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5alpha-Tetrahydrocortisol?
Yes, KEHONG BIO provides custom synthesis services for 5alpha-Tetrahydrocortisol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.