3-Chlorofluocinolone acetonide
TL;DR: 3-Chlorofluocinolone acetonide (CAS 87138-77-0) is a chemical compound with molecular formula C24H29ClF2O5 and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S,2S,4S,8S,9S,11S,13S)-16-chloro-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-hydroxyethanone
Also Known As: 3-Chlorofluocinolone acetonide, 1-(2-Chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-hydroxyethan-1-one, 1-[(1S,2S,4S,8S,9S,11S,13S)-16-Chloro-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-hydroxyethanone, 1-[(4aS,5S,6aS,6bS,9aS,10aS,10bS)-2-Chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-hydroxyethan-1-one
| Molecular Formula | C24H29ClF2O5 |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 470.16714 |
| Heavy Atoms | 32 |
| Complexity | 991.0 |
Chemical Identifiers
| CAS Number | 87138-77-0 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3([C@H]([C@@H]1C[C@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CC(=C5[C@@]3(C=CC(=C5)Cl)C)F)F)O |
| InChIKey | KSOFSIRPKGXAHL-CPXYBYFWSA-N |
Product Overview
3-Chlorofluocinolone acetonide (CAS 87138-77-0), with molecular formula C24H29ClF2O5 and molecular weight 470.17 g/mol. IUPAC: 1-[(1S,2S,4S,8S,9S,11S,13S)-16-chloro-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-hydroxyethanone.
Chemical Property Profile of 3-Chlorofluocinolone acetonide
Property Insights of 3-Chlorofluocinolone acetonide
The XLogP value of 3.9 indicates that 3-Chlorofluocinolone acetonide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chlorofluocinolone acetonide. Following Lipinski's Rule of Five, 3-Chlorofluocinolone acetonide has 2 hydrogen bond donor(s) and 7 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 3-Chlorofluocinolone acetonide?
The CAS number of 3-Chlorofluocinolone acetonide is 87138-77-0.
What is the molecular formula of 3-Chlorofluocinolone acetonide?
The molecular formula of 3-Chlorofluocinolone acetonide is C24H29ClF2O5.
What is the molecular weight of 3-Chlorofluocinolone acetonide?
The molecular weight of 3-Chlorofluocinolone acetonide is 470.17 g/mol.
Where can I buy 3-Chlorofluocinolone acetonide?
You can request a quote for 3-Chlorofluocinolone acetonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorofluocinolone acetonide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorofluocinolone acetonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.