Domoprednate
TL;DR: Domoprednate (CAS 66877-67-6) is a chemical compound with molecular formula C26H36O5 and molecular weight 428.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4aS,4bS,10aR,10bS,11S,12aS)-1-acetyl-11-hydroxy-10a,12a-dimethyl-8-oxo-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-yl] butanoate
Also Known As: Domoprednate, Domoprednatum, Ddomoprednato, Domoprednato, Dromoprednate
| Molecular Formula | C26H36O5 |
|---|---|
| Molecular Weight | 428.26 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.2563 |
| Heavy Atoms | 31 |
| Complexity | 856.0 |
Chemical Identifiers
| CAS Number | 66877-67-6 |
|---|---|
| SMILES | CCCC(=O)O[C@@]1(CCC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)C |
| InChIKey | IYBYNRHXGXDDDS-VRRJBYJJSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Domoprednate (CAS 66877-67-6), with molecular formula C26H36O5 and molecular weight 428.26 g/mol. IUPAC: [(1R,4aS,4bS,10aR,10bS,11S,12aS)-1-acetyl-11-hydroxy-10a,12a-dimethyl-8-oxo-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-yl] butanoate.
Chemical Property Profile of Domoprednate
Property Insights of Domoprednate
The XLogP value of 4.6 indicates that Domoprednate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Domoprednate. Following Lipinski's Rule of Five, Domoprednate has 1 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 Domoprednate?
The CAS number of Domoprednate is 66877-67-6.
What is the molecular formula of Domoprednate?
The molecular formula of Domoprednate is C26H36O5.
What is the molecular weight of Domoprednate?
The molecular weight of Domoprednate is 428.26 g/mol.
Where can I buy Domoprednate?
You can request a quote for Domoprednate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Domoprednate?
Yes, KEHONG BIO provides custom synthesis services for Domoprednate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.