Prednisolone 21-all-cis-farnesylate
TL;DR: Prednisolone 21-all-cis-farnesylate (CAS 118244-45-4) is a chemical compound with molecular formula C36H50O6 and molecular weight 578.3607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienoate
Also Known As: Farnerate, Prednisolone 21-all-cis-farnesylate, J2.784.702A, [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienoate, [2-[(8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-
Technical Specifications
| Molecular Formula | C36H50O6 |
| Molecular Weight | 578.3607 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 578.3607 Da |
| Heavy Atoms | 42 |
| Complexity | 1250.0 |
| SMILES | CC(=CCC/C(=C\CC/C(=C\C(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)/C)/C)C |
| InChIKey | SBQAKZYUNWNIRL-WNWSKZGLSA-N |
Chemical Property Profile of Prednisolone 21-all-cis-farnesylate
Property Insights of Prednisolone 21-all-cis-farnesylate
The XLogP value of 7.6 indicates that Prednisolone 21-all-cis-farnesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Prednisolone 21-all-cis-farnesylate. Following Lipinski's Rule of Five, Prednisolone 21-all-cis-farnesylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Prednisolone 21-all-cis-farnesylate?
The CAS number of Prednisolone 21-all-cis-farnesylate is 118244-45-4.
What is the molecular formula of Prednisolone 21-all-cis-farnesylate?
The molecular formula of Prednisolone 21-all-cis-farnesylate is C36H50O6.
What is the molecular weight of Prednisolone 21-all-cis-farnesylate?
The molecular weight of Prednisolone 21-all-cis-farnesylate is 578.3607 g/mol.
Where can I buy Prednisolone 21-all-cis-farnesylate?
You can request a quote for Prednisolone 21-all-cis-farnesylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Prednisolone 21-all-cis-farnesylate?
Yes, CoreyChem provides custom synthesis services for Prednisolone 21-all-cis-farnesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.