6-Dehydrocortisol
TL;DR: 6-Dehydrocortisol (CAS 6635-33-2) is a chemical compound with molecular formula C21H28O5 and molecular weight 360.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 6-Dehydrocortisol, Delta6-Hydrocortisone, Hydrocortisone EP Impurity E, Hydrocortisone impurity E [EP], KST-1A7289
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 6635-33-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O |
| InChIKey | IFOXVSBZLASBJM-VWUMJDOOSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Dehydrocortisol (CAS 6635-33-2), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 6-Dehydrocortisol
Property Insights of 6-Dehydrocortisol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Dehydrocortisol. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Dehydrocortisol. Following Lipinski's Rule of Five, 6-Dehydrocortisol has 3 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 6-Dehydrocortisol?
The CAS number of 6-Dehydrocortisol is 6635-33-2.
What is the molecular formula of 6-Dehydrocortisol?
The molecular formula of 6-Dehydrocortisol is C21H28O5.
What is the molecular weight of 6-Dehydrocortisol?
The molecular weight of 6-Dehydrocortisol is 360.19 g/mol.
Where can I buy 6-Dehydrocortisol?
You can request a quote for 6-Dehydrocortisol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Dehydrocortisol?
Yes, KEHONG BIO provides custom synthesis services for 6-Dehydrocortisol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.