8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline
TL;DR: 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline (CAS 56552-51-3) is a chemical compound with molecular formula C27H34N4O and molecular weight 430.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Ptr 17402, 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline, Ergoline, 8-((4-(methoxyphenyl)-1-piperazinyl)methyl)-6-methyl-, (8alpha)-, 8-{[4-(4-Methoxyphenyl)piperazin-1-yl]methyl}-6-methylergoline, RefChem:106789
| Molecular Formula | C27H34N4O |
|---|---|
| Molecular Weight | 430.27 g/mol |
| LogP | 3.9587 |
| Topological Polar Surface Area | 34.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.27325 |
| Heavy Atoms | 32 |
| Complexity | 1082.7344 |
Chemical Identifiers
| CAS Number | 56552-51-3 |
|---|---|
| SMILES | CN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CN5CCN(CC5)C6=CC=C(C=C6)OC |
Product Overview
8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline (CAS 56552-51-3), with molecular formula C27H34N4O and molecular weight 430.27 g/mol. IUPAC: 9-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline
Property Insights of 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline
The XLogP value of 3.9587 indicates that 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.74 Ų, 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline has 1 hydrogen bond donor(s) and 4 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 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline?
The CAS number of 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline is 56552-51-3.
What is the molecular formula of 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline?
The molecular formula of 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline is C27H34N4O.
What is the molecular weight of 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline?
The molecular weight of 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline is 430.27 g/mol.
Where can I buy 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline?
You can request a quote for 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.