Reichstein's substance E
TL;DR: Reichstein's substance E (CAS 116-58-5) is a chemical compound with molecular formula C21H32O5 and molecular weight 364.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(1,2-dihydroxyethyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 20-Hydroxycortisol, A-Dihydrocortisol, Reichstein's substance E, NCIOpen2_009098, 5,5,5-TRIFLUORO-4-OXOPENTANOICACID
| Molecular Formula | C21H32O5 |
|---|---|
| Molecular Weight | 364.22 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.22498 |
| Heavy Atoms | 26 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 116-58-5 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O |
| InChIKey | AWWCEQOCFFQUKS-UHFFFAOYSA-N |
Product Overview
Reichstein's substance E (CAS 116-58-5), with molecular formula C21H32O5 and molecular weight 364.22 g/mol. IUPAC: 17-(1,2-dihydroxyethyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Reichstein's substance E
Property Insights of Reichstein's substance E
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Reichstein's substance E. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Reichstein's substance E. Following Lipinski's Rule of Five, Reichstein's substance E 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 Reichstein's substance E?
The CAS number of Reichstein's substance E is 116-58-5.
What is the molecular formula of Reichstein's substance E?
The molecular formula of Reichstein's substance E is C21H32O5.
What is the molecular weight of Reichstein's substance E?
The molecular weight of Reichstein's substance E is 364.22 g/mol.
Where can I buy Reichstein's substance E?
You can request a quote for Reichstein's substance E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reichstein's substance E?
Yes, KEHONG BIO provides custom synthesis services for Reichstein's substance E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.