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 578.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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-
| Molecular Formula | C36H50O6 |
|---|---|
| Molecular Weight | 578.36 g/mol |
| LogP | 6.5277 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.3607 |
| Heavy Atoms | 42 |
| Complexity | 1245.1631 |
Chemical Identifiers
| CAS Number | 118244-45-4 |
|---|---|
| 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 |
Product Overview
Prednisolone 21-all-cis-farnesylate (CAS 118244-45-4), with molecular formula C36H50O6 and molecular weight 578.36 g/mol. IUPAC: [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.
Chemical Property Profile of Prednisolone 21-all-cis-farnesylate
Property Insights of Prednisolone 21-all-cis-farnesylate
The XLogP value of 6.5277 indicates that Prednisolone 21-all-cis-farnesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 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
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 578.36 g/mol.
Where can I buy Prednisolone 21-all-cis-farnesylate?
You can request a quote for Prednisolone 21-all-cis-farnesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prednisolone 21-all-cis-farnesylate?
Yes, KEHONG BIO provides custom synthesis services for Prednisolone 21-all-cis-farnesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.