Methylprednisolone 21-suleptanic acid ester
TL;DR: Methylprednisolone 21-suleptanic acid ester (CAS 121807-10-1) is a chemical compound with molecular formula C33H49NO10S and molecular weight 651.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-8-oxooctanoyl]-methylamino]ethanesulfonic acid
Also Known As: ALMADRATE SULFATE, Methylprednisolone 21-suleptanic acid ester, MethylprednisoloneSuleptanate, Methylprednisolone suleptanate free acid, METHYLPREDNISOLONE SULEPTANATE
| Molecular Formula | C33H49NO10S |
|---|---|
| Molecular Weight | 651.31 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 651.30774 |
| Heavy Atoms | 45 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 121807-10-1 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS(=O)(=O)O)O |
| InChIKey | PSCNNGGPKIBAHB-WFVOKNHCSA-N |
Product Overview
Methylprednisolone 21-suleptanic acid ester (CAS 121807-10-1), with molecular formula C33H49NO10S and molecular weight 651.31 g/mol. IUPAC: 2-[[8-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-8-oxooctanoyl]-methylamino]ethanesulfonic acid.
Chemical Property Profile of Methylprednisolone 21-suleptanic acid ester
Property Insights of Methylprednisolone 21-suleptanic acid ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylprednisolone 21-suleptanic acid ester. The TPSA of 184.0 Ų indicates high polarity, suggesting Methylprednisolone 21-suleptanic acid ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methylprednisolone 21-suleptanic acid ester has 3 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 Methylprednisolone 21-suleptanic acid ester?
The CAS number of Methylprednisolone 21-suleptanic acid ester is 121807-10-1.
What is the molecular formula of Methylprednisolone 21-suleptanic acid ester?
The molecular formula of Methylprednisolone 21-suleptanic acid ester is C33H49NO10S.
What is the molecular weight of Methylprednisolone 21-suleptanic acid ester?
The molecular weight of Methylprednisolone 21-suleptanic acid ester is 651.31 g/mol.
Where can I buy Methylprednisolone 21-suleptanic acid ester?
You can request a quote for Methylprednisolone 21-suleptanic acid ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylprednisolone 21-suleptanic acid ester?
Yes, KEHONG BIO provides custom synthesis services for Methylprednisolone 21-suleptanic acid ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.