allo-Tetrahydrocortisol 21-Glucuronide
TL;DR: allo-Tetrahydrocortisol 21-Glucuronide (CAS 131061-62-6) is a chemical compound with molecular formula C27H42O11 and molecular weight 542.2727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5-trihydroxy-6-[2-oxo-2-(3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]oxane-2-carboxylic acid
Also Known As: allo-Tetrahydrocortisol 21-Glucuronide, Allo-3a-tetrahydro Cortisol 21-O-b-D-Glucuronide, 3,4,5-trihydroxy-6-[2-oxo-2-(3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]oxane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C27H42O11 |
| Molecular Weight | 542.2727 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 542.2727 Da |
| Heavy Atoms | 38 |
| Complexity | 944.0 |
| SMILES | CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(=O)COC5C(C(C(C(O5)C(=O)O)O)O)O)O)C)O)O |
| InChIKey | MTWBRGYEFAXTHE-UHFFFAOYSA-N |
Chemical Property Profile of allo-Tetrahydrocortisol 21-Glucuronide
Property Insights of allo-Tetrahydrocortisol 21-Glucuronide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for allo-Tetrahydrocortisol 21-Glucuronide. The TPSA of 194.0 Ų indicates high polarity, suggesting allo-Tetrahydrocortisol 21-Glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, allo-Tetrahydrocortisol 21-Glucuronide has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of allo-Tetrahydrocortisol 21-Glucuronide?
The CAS number of allo-Tetrahydrocortisol 21-Glucuronide is 131061-62-6.
What is the molecular formula of allo-Tetrahydrocortisol 21-Glucuronide?
The molecular formula of allo-Tetrahydrocortisol 21-Glucuronide is C27H42O11.
What is the molecular weight of allo-Tetrahydrocortisol 21-Glucuronide?
The molecular weight of allo-Tetrahydrocortisol 21-Glucuronide is 542.2727 g/mol.
Where can I buy allo-Tetrahydrocortisol 21-Glucuronide?
You can request a quote for allo-Tetrahydrocortisol 21-Glucuronide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for allo-Tetrahydrocortisol 21-Glucuronide?
Yes, CoreyChem provides custom synthesis services for allo-Tetrahydrocortisol 21-Glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.