9,11-Dehydrodexamethasone acetate
TL;DR: 9,11-Dehydrodexamethasone acetate (CAS 10106-41-9) is a chemical compound with molecular formula C24H30O5 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Vamorolone acetate, Pregnatriene acetate, Dexamethasone EP Impurity H, 9,11-Dehydrodexamethasone acetate, Dexamethasone Impurity 4
| Molecular Formula | C24H30O5 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.20932 |
| Heavy Atoms | 29 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 10106-41-9 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C |
| InChIKey | AAPZMQVULRVUEU-PYAFTSMNSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,11-Dehydrodexamethasone acetate (CAS 10106-41-9), with molecular formula C24H30O5 and molecular weight 398.21 g/mol. IUPAC: [2-[(8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 9,11-Dehydrodexamethasone acetate
Property Insights of 9,11-Dehydrodexamethasone acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,11-Dehydrodexamethasone acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,11-Dehydrodexamethasone acetate. Following Lipinski's Rule of Five, 9,11-Dehydrodexamethasone acetate 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 9,11-Dehydrodexamethasone acetate?
The CAS number of 9,11-Dehydrodexamethasone acetate is 10106-41-9.
What is the molecular formula of 9,11-Dehydrodexamethasone acetate?
The molecular formula of 9,11-Dehydrodexamethasone acetate is C24H30O5.
What is the molecular weight of 9,11-Dehydrodexamethasone acetate?
The molecular weight of 9,11-Dehydrodexamethasone acetate is 398.21 g/mol.
Where can I buy 9,11-Dehydrodexamethasone acetate?
You can request a quote for 9,11-Dehydrodexamethasone acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,11-Dehydrodexamethasone acetate?
Yes, KEHONG BIO provides custom synthesis services for 9,11-Dehydrodexamethasone acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.