flunisolide
TL;DR: flunisolide (CAS 77326-96-6) is a chemical compound with molecular formula C48H64F2O13 and molecular weight 886.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((1S,4R,8S,9S,11S,12S,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one);hydrate
Also Known As: flunisolide, Nasalide, Aerobid, Nasarel, CAFFEINE ANHYDROUS
| Molecular Formula | C48H64F2O13 |
|---|---|
| Molecular Weight | 886.43 g/mol |
| LogP | 3.72 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 4 |
| Exact Mass | 886.4315 |
| Heavy Atoms | 63 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 77326-96-6 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H](C1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=CC35C)F)O.C[C@]12C[C@@H]([C@H]3[C@H](C1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=CC35C)F)O.O |
| InChIKey | MIXMJCQRHVAJIO-RRPCVRMZSA-N |
Product Overview
flunisolide (CAS 77326-96-6), with molecular formula C48H64F2O13 and molecular weight 886.43 g/mol. IUPAC: bis((1S,4R,8S,9S,11S,12S,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one);hydrate.
Chemical Property Profile of flunisolide
Property Insights of flunisolide
The XLogP value of 3.72 indicates that flunisolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.0 Ų indicates high polarity, suggesting flunisolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, flunisolide has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of flunisolide?
The CAS number of flunisolide is 77326-96-6.
What is the molecular formula of flunisolide?
The molecular formula of flunisolide is C48H64F2O13.
What is the molecular weight of flunisolide?
The molecular weight of flunisolide is 886.43 g/mol.
Where can I buy flunisolide?
You can request a quote for flunisolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for flunisolide?
Yes, KEHONG BIO provides custom synthesis services for flunisolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.