20beta-Cortolone-3-glucuronide
TL;DR: 20beta-Cortolone-3-glucuronide (CAS 95826-45-2) is a chemical compound with molecular formula C27H42BaO11+2 and molecular weight 680.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);6-[[17-(1,2-dihydroxyethyl)-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Cortolone-3-glucuronide, 20beta-Cortolone-3-glucuronide, 20alpha-Cortolone-3-glucuronide, C27H42O11.1/2Ba, C27-H42-O11.1/2Ba
| Molecular Formula | C27H42BaO11+2 |
|---|---|
| Molecular Weight | 680.18 g/mol |
| LogP | -0.811 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 680.178 |
| Heavy Atoms | 39 |
| Complexity | 944.0 |
Chemical Identifiers
| CAS Number | 95826-45-2 |
|---|---|
| SMILES | CC12CC(CCC1CCC3C2C(=O)CC4(C3CCC4(C(CO)O)O)C)OC5C(C(C(C(O5)C(=O)O)O)O)O.[Ba+2] |
| InChIKey | JFZNUBRLDQSHKU-UHFFFAOYSA-N |
Product Overview
20beta-Cortolone-3-glucuronide (CAS 95826-45-2), with molecular formula C27H42BaO11+2 and molecular weight 680.18 g/mol. IUPAC: barium(2+);6-[[17-(1,2-dihydroxyethyl)-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 20beta-Cortolone-3-glucuronide
Property Insights of 20beta-Cortolone-3-glucuronide
The XLogP value of -0.811 indicates that 20beta-Cortolone-3-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting 20beta-Cortolone-3-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 20beta-Cortolone-3-glucuronide has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 20beta-Cortolone-3-glucuronide?
The CAS number of 20beta-Cortolone-3-glucuronide is 95826-45-2.
What is the molecular formula of 20beta-Cortolone-3-glucuronide?
The molecular formula of 20beta-Cortolone-3-glucuronide is C27H42BaO11+2.
What is the molecular weight of 20beta-Cortolone-3-glucuronide?
The molecular weight of 20beta-Cortolone-3-glucuronide is 680.18 g/mol.
Where can I buy 20beta-Cortolone-3-glucuronide?
You can request a quote for 20beta-Cortolone-3-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20beta-Cortolone-3-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 20beta-Cortolone-3-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.