Prednisolone metasulfobenzoate
TL;DR: Prednisolone metasulfobenzoate (CAS 39175-74-1) is a chemical compound with molecular formula C28H32O9S and molecular weight 544.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonylbenzenesulfonic acid
Also Known As: Prednisolone metasulfobenzoate, 3-{[(11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}benzenesulfonic acid, 3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonylbenzenesulfonic acid
| Molecular Formula | C28H32O9S |
|---|---|
| Molecular Weight | 544.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.1767 |
| Heavy Atoms | 38 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 39175-74-1 |
|---|---|
| SMILES | CC12CC(C3C(C1CCC2(C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)O)O)CCC5=CC(=O)C=CC35C)O |
| InChIKey | WVKSUFYQOHQCMM-UHFFFAOYSA-N |
Product Overview
Prednisolone metasulfobenzoate (CAS 39175-74-1), with molecular formula C28H32O9S and molecular weight 544.18 g/mol. IUPAC: 3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonylbenzenesulfonic acid.
Chemical Property Profile of Prednisolone metasulfobenzoate
Property Insights of Prednisolone metasulfobenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prednisolone metasulfobenzoate. The TPSA of 164.0 Ų indicates high polarity, suggesting Prednisolone metasulfobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prednisolone metasulfobenzoate has 3 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 Prednisolone metasulfobenzoate?
The CAS number of Prednisolone metasulfobenzoate is 39175-74-1.
What is the molecular formula of Prednisolone metasulfobenzoate?
The molecular formula of Prednisolone metasulfobenzoate is C28H32O9S.
What is the molecular weight of Prednisolone metasulfobenzoate?
The molecular weight of Prednisolone metasulfobenzoate is 544.18 g/mol.
Where can I buy Prednisolone metasulfobenzoate?
You can request a quote for Prednisolone metasulfobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prednisolone metasulfobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Prednisolone metasulfobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.