Desisobutyryl-ciclesonide
TL;DR: Desisobutyryl-ciclesonide (CAS 161115-59-9) is a chemical compound with molecular formula C28H38O6 and molecular weight 470.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Also Known As: Desisobutyryl Ciclesonide, Desisobutyrylciclesonide, desisobutyryl-ciclesonide, des-ciclesonide, Des-CIC
| Molecular Formula | C28H38O6 |
|---|---|
| Molecular Weight | 470.27 g/mol |
| LogP | 3.497 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.26685 |
| Heavy Atoms | 34 |
| Complexity | 948.543 |
Chemical Identifiers
| CAS Number | 161115-59-9 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O |
Product Overview
Desisobutyryl-ciclesonide (CAS 161115-59-9), with molecular formula C28H38O6 and molecular weight 470.27 g/mol. IUPAC: (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one.
Chemical Property Profile of Desisobutyryl-ciclesonide
Property Insights of Desisobutyryl-ciclesonide
The XLogP value of 3.497 indicates that Desisobutyryl-ciclesonide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Desisobutyryl-ciclesonide. Following Lipinski's Rule of Five, Desisobutyryl-ciclesonide has 2 hydrogen bond donor(s) and 6 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 Desisobutyryl-ciclesonide?
The CAS number of Desisobutyryl-ciclesonide is 161115-59-9.
What is the molecular formula of Desisobutyryl-ciclesonide?
The molecular formula of Desisobutyryl-ciclesonide is C28H38O6.
What is the molecular weight of Desisobutyryl-ciclesonide?
The molecular weight of Desisobutyryl-ciclesonide is 470.27 g/mol.
Where can I buy Desisobutyryl-ciclesonide?
You can request a quote for Desisobutyryl-ciclesonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desisobutyryl-ciclesonide?
Yes, KEHONG BIO provides custom synthesis services for Desisobutyryl-ciclesonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.