(11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al
TL;DR: (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al (CAS 906337-64-2) 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.
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
Also Known As: 21-Dehydrocortisol, Hydrocortisone EP Impurity G, Hydrocortisone 21-Aldehyde Hydrate, Hydrocortisone-21-aldehyde, HYDROCORTISONE 21-ALDEHYDE
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 906337-64-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)C=O)O)C)O |
| InChIKey | JIELFMXLFHFDRT-VWUMJDOOSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al (CAS 906337-64-2), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: 2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde.
Chemical Property Profile of (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al
Property Insights of (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al. Following Lipinski's Rule of Five, (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al has 2 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 (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al?
The CAS number of (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al is 906337-64-2.
What is the molecular formula of (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al?
The molecular formula of (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al is C21H28O5.
What is the molecular weight of (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al?
The molecular weight of (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al is 360.19 g/mol.
Where can I buy (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al?
You can request a quote for (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al?
Yes, KEHONG BIO provides custom synthesis services for (11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.