Meclorisone Dibutyrate
TL;DR: Meclorisone Dibutyrate (CAS 10549-91-4) is a chemical compound with molecular formula C30H40Cl2O6 and molecular weight 566.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-butanoyloxy-9,11-dichloro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate
Also Known As: Meclorisone dibutyrate, Meclorisone, Meclorisona, Sch 11572, Meclorisone dibutyrate [USAN]
| Molecular Formula | C30H40Cl2O6 |
|---|---|
| Molecular Weight | 566.22 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.2202 |
| Heavy Atoms | 38 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 10549-91-4 |
|---|---|
| SMILES | CCCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)Cl)C)C)OC(=O)CCC |
| InChIKey | HUXCOHMTWUSXGY-GAPIFECDSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Meclorisone Dibutyrate (CAS 10549-91-4), with molecular formula C30H40Cl2O6 and molecular weight 566.22 g/mol. IUPAC: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-butanoyloxy-9,11-dichloro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate.
Chemical Property Profile of Meclorisone Dibutyrate
Property Insights of Meclorisone Dibutyrate
The XLogP value of 5.0 indicates that Meclorisone Dibutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Meclorisone Dibutyrate. Following Lipinski's Rule of Five, Meclorisone Dibutyrate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Meclorisone Dibutyrate?
The CAS number of Meclorisone Dibutyrate is 10549-91-4.
What is the molecular formula of Meclorisone Dibutyrate?
The molecular formula of Meclorisone Dibutyrate is C30H40Cl2O6.
What is the molecular weight of Meclorisone Dibutyrate?
The molecular weight of Meclorisone Dibutyrate is 566.22 g/mol.
Where can I buy Meclorisone Dibutyrate?
You can request a quote for Meclorisone Dibutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Meclorisone Dibutyrate?
Yes, KEHONG BIO provides custom synthesis services for Meclorisone Dibutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.