Prednefrin
TL;DR: Prednefrin (CAS 78393-43-8) is a chemical compound with molecular formula C32H44ClNO8 and molecular weight 605.28 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] acetate;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
Also Known As: Prednefrin, Phenylephrine hydrochloride / prednisolone acetate, Phenylephrine hydrochloride mixture with prednisolone acetate, [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] acetate;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride, [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] acetate; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; hydrochloride
| Molecular Formula | C32H44ClNO8 |
|---|---|
| Molecular Weight | 605.28 g/mol |
| LogP | 3.1952 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 605.2756 |
| Heavy Atoms | 42 |
| Complexity | 957.0 |
Chemical Identifiers
| CAS Number | 78393-43-8 |
|---|---|
| SMILES | CC(=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.CNC[C@@H](C1=CC(=CC=C1)O)O.Cl |
| InChIKey | ZNXXCLVUNMDLNR-UQLUPRNYSA-N |
Product Overview
Prednefrin (CAS 78393-43-8), with molecular formula C32H44ClNO8 and molecular weight 605.28 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] acetate;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride.
Chemical Property Profile of Prednefrin
Property Insights of Prednefrin
The XLogP value of 3.1952 indicates that Prednefrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting Prednefrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prednefrin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prednefrin?
The CAS number of Prednefrin is 78393-43-8.
What is the molecular formula of Prednefrin?
The molecular formula of Prednefrin is C32H44ClNO8.
What is the molecular weight of Prednefrin?
The molecular weight of Prednefrin is 605.28 g/mol.
Where can I buy Prednefrin?
You can request a quote for Prednefrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prednefrin?
Yes, KEHONG BIO provides custom synthesis services for Prednefrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.