4,5beta-Dihydrocortisone
TL;DR: 4,5beta-Dihydrocortisone (CAS 68-54-2) is a chemical compound with molecular formula C21H30O5 and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
Also Known As: 5beta-Dihydrocortisone, 5-Dihydrocortisone, 4,5beta-Dihydrocortisone, dihydrocortisone, A-Dihydrocortisone
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 68-54-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C |
| InChIKey | YCLWEYIBFOLMEM-FNLRALKVSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5beta-Dihydrocortisone (CAS 68-54-2), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: (5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 4,5beta-Dihydrocortisone
Property Insights of 4,5beta-Dihydrocortisone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5beta-Dihydrocortisone. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5beta-Dihydrocortisone. Following Lipinski's Rule of Five, 4,5beta-Dihydrocortisone 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 4,5beta-Dihydrocortisone?
The CAS number of 4,5beta-Dihydrocortisone is 68-54-2.
What is the molecular formula of 4,5beta-Dihydrocortisone?
The molecular formula of 4,5beta-Dihydrocortisone is C21H30O5.
What is the molecular weight of 4,5beta-Dihydrocortisone?
The molecular weight of 4,5beta-Dihydrocortisone is 362.21 g/mol.
Where can I buy 4,5beta-Dihydrocortisone?
You can request a quote for 4,5beta-Dihydrocortisone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5beta-Dihydrocortisone?
Yes, KEHONG BIO provides custom synthesis services for 4,5beta-Dihydrocortisone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.