21-Dehydrocortisone
TL;DR: 21-Dehydrocortisone (CAS 16574-04-2) is a chemical compound with molecular formula C21H26O5 and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
Also Known As: 21-dehydrocortisone, Pregn-4-en-21-al,11,20-trioxo-, 17-hydroxy-3,11,20-trioxopregn-4-en-21-al, 4-pregnen-17alpha-ol-3,11,20-trione-21-al, 17alpha-hydroxypregn-4-en-3,11,20-trione-21-al
| Molecular Formula | C21H26O5 |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.178 |
| Heavy Atoms | 26 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 16574-04-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)C=O)O)C |
| InChIKey | DJLICGGNASJAQR-ZPOLXVRWSA-N |
Product Overview
21-Dehydrocortisone (CAS 16574-04-2), with molecular formula C21H26O5 and molecular weight 358.18 g/mol. IUPAC: 2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde.
Chemical Property Profile of 21-Dehydrocortisone
Property Insights of 21-Dehydrocortisone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-Dehydrocortisone. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-Dehydrocortisone. Following Lipinski's Rule of Five, 21-Dehydrocortisone has 1 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 21-Dehydrocortisone?
The CAS number of 21-Dehydrocortisone is 16574-04-2.
What is the molecular formula of 21-Dehydrocortisone?
The molecular formula of 21-Dehydrocortisone is C21H26O5.
What is the molecular weight of 21-Dehydrocortisone?
The molecular weight of 21-Dehydrocortisone is 358.18 g/mol.
Where can I buy 21-Dehydrocortisone?
You can request a quote for 21-Dehydrocortisone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Dehydrocortisone?
Yes, KEHONG BIO provides custom synthesis services for 21-Dehydrocortisone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.