Mespirenone
TL;DR: Mespirenone (CAS 87952-98-5) is a chemical compound with molecular formula C25H30O4S and molecular weight 426.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-diene]-18'-yl] ethanethioate
Also Known As: Mespirenone, Mespirenona, Mespirenonum, Mespirenone [INN], Mespirenonum [Latin]
| Molecular Formula | C25H30O4S |
|---|---|
| Molecular Weight | 426.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.1865 |
| Heavy Atoms | 30 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 87952-98-5 |
|---|---|
| SMILES | CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@@]2([C@@H]3[C@@H]1[C@@H]4[C@@H]5C[C@@H]5[C@]6([C@]4(CC3)C)CCC(=O)O6)C |
| InChIKey | CPHJTSJQUQZOLJ-ISIDMKFXSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mespirenone (CAS 87952-98-5), with molecular formula C25H30O4S and molecular weight 426.19 g/mol. IUPAC: S-[(1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-diene]-18'-yl] ethanethioate.
Chemical Property Profile of Mespirenone
Property Insights of Mespirenone
The XLogP value of 3.9 indicates that Mespirenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Mespirenone. Following Lipinski's Rule of Five, Mespirenone has 0 hydrogen bond donor(s) and 5 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 Mespirenone?
The CAS number of Mespirenone is 87952-98-5.
What is the molecular formula of Mespirenone?
The molecular formula of Mespirenone is C25H30O4S.
What is the molecular weight of Mespirenone?
The molecular weight of Mespirenone is 426.19 g/mol.
Where can I buy Mespirenone?
You can request a quote for Mespirenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mespirenone?
Yes, KEHONG BIO provides custom synthesis services for Mespirenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.