Prednazoline
TL;DR: Prednazoline (CAS 6693-90-9) is a chemical compound with molecular formula C34H47N2O9P and molecular weight 658.30 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] dihydrogen phosphate;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Also Known As: Prednazoline, Prednazolina, Prednazolinum, Prednazoline [INN:DCF], PREDNAZOLINE [INN]
| Molecular Formula | C34H47N2O9P |
|---|---|
| Molecular Weight | 658.30 g/mol |
| LogP | 3.87 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 658.30194 |
| Heavy Atoms | 46 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 6693-90-9 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1OCC2=NCCN2.C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)CCC4=CC(=O)C=C[C@]34C)O |
| InChIKey | WBNNIURTBZHJTI-WDCKKOMHSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prednazoline (CAS 6693-90-9), with molecular formula C34H47N2O9P and molecular weight 658.30 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] dihydrogen phosphate;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole.
Chemical Property Profile of Prednazoline
Property Insights of Prednazoline
The XLogP value of 3.87 indicates that Prednazoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.0 Ų indicates high polarity, suggesting Prednazoline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prednazoline has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prednazoline?
The CAS number of Prednazoline is 6693-90-9.
What is the molecular formula of Prednazoline?
The molecular formula of Prednazoline is C34H47N2O9P.
What is the molecular weight of Prednazoline?
The molecular weight of Prednazoline is 658.30 g/mol.
Where can I buy Prednazoline?
You can request a quote for Prednazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prednazoline?
Yes, KEHONG BIO provides custom synthesis services for Prednazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.