(8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline
TL;DR: (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline (CAS 129134-95-8) is a chemical compound with molecular formula C22H23ClN2O2S and molecular weight 414.11688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-4-(4-chlorophenyl)sulfonyl-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Also Known As: 1-(p-Chlorobenzenesulfonyl)festuclavine, 1-(4-Chlorobenzenesulfonyl)festuclavine, (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline, (8-beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline, Ergoline, 1-((4-chlorophenyl)sulfonyl)-6,8-dimethyl-, (8beta)-
Technical Specifications
| Molecular Formula | C22H23ClN2O2S |
| Molecular Weight | 414.11688 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.11688 Da |
| Heavy Atoms | 28 |
| Complexity | 687.0 |
| SMILES | C[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)S(=O)(=O)C5=CC=C(C=C5)Cl)N(C1)C |
| InChIKey | NTPWDWFGYUNUGP-ZEMWXQFSSA-N |
Chemical Property Profile of (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline
Property Insights of (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline
The XLogP value of 5.0 indicates that (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline?
The CAS number of (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline is 129134-95-8.
What is the molecular formula of (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline?
The molecular formula of (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline is C22H23ClN2O2S.
What is the molecular weight of (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline?
The molecular weight of (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline is 414.11688 g/mol.
Where can I buy (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline?
You can request a quote for (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline?
Yes, CoreyChem provides custom synthesis services for (8beta)-1-((4-Chlorophenyl)sulfonyl)-6,8-dimethylergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.