Prednisolone, 21-cyclopentanecarboxylate
TL;DR: Prednisolone, 21-cyclopentanecarboxylate (CAS 89471-69-2) is a chemical compound with molecular formula C27H36O6 and molecular weight 456.25 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] cyclopentanecarboxylate
Also Known As: Prednisolone, 21-cyclopentanecarboxylate, U 7084, Pregna-1,20-dione, 11.beta.,17,21-trihydroxy-, 21-cyclopentanecarboxylate, [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] cyclopentanecarboxylate
| Molecular Formula | C27H36O6 |
|---|---|
| Molecular Weight | 456.25 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.2512 |
| Heavy Atoms | 33 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 89471-69-2 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4CCCC4)O)CCC5=CC(=O)C=C[C@]35C)O |
| InChIKey | HZNGFAATLNQRBS-KJKDQFDUSA-N |
Product Overview
Prednisolone, 21-cyclopentanecarboxylate (CAS 89471-69-2), with molecular formula C27H36O6 and molecular weight 456.25 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] cyclopentanecarboxylate.
Chemical Property Profile of Prednisolone, 21-cyclopentanecarboxylate
Property Insights of Prednisolone, 21-cyclopentanecarboxylate
The XLogP value of 3.9 indicates that Prednisolone, 21-cyclopentanecarboxylate 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-cyclopentanecarboxylate. Following Lipinski's Rule of Five, Prednisolone, 21-cyclopentanecarboxylate has 2 hydrogen bond donor(s) and 6 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 Prednisolone, 21-cyclopentanecarboxylate?
The CAS number of Prednisolone, 21-cyclopentanecarboxylate is 89471-69-2.
What is the molecular formula of Prednisolone, 21-cyclopentanecarboxylate?
The molecular formula of Prednisolone, 21-cyclopentanecarboxylate is C27H36O6.
What is the molecular weight of Prednisolone, 21-cyclopentanecarboxylate?
The molecular weight of Prednisolone, 21-cyclopentanecarboxylate is 456.25 g/mol.
Where can I buy Prednisolone, 21-cyclopentanecarboxylate?
You can request a quote for Prednisolone, 21-cyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prednisolone, 21-cyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Prednisolone, 21-cyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.