2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-
TL;DR: 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)- (CAS 79675-37-9) is a chemical compound with molecular formula C22H27N3O and molecular weight 349.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methylamino]cyclopent-2-en-1-one
Also Known As: 1,6-Dimethyl-8-((2-cyclopentenone)-3-aminomethyl)ergoline, 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-, 3-((((8-beta)-1,6-Dimethylergolin-8-yl)methyl)amino)-2-cyclopenten-1-one, 3-{[(1,6-Dimethylergolin-8-yl)methyl]amino}cyclopent-2-en-1-one, 3-({[(10xi)-1,6-Dimethylergolin-8beta-yl]methyl}amino)cyclopent-2-en-1-one
| Molecular Formula | C22H27N3O |
|---|---|
| Molecular Weight | 349.22 g/mol |
| LogP | 2.9747 |
| Topological Polar Surface Area | 37.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.21542 |
| Heavy Atoms | 26 |
| Complexity | 909.4933 |
Chemical Identifiers
| CAS Number | 79675-37-9 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC5=CC(=O)CC5 |
Product Overview
2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)- (CAS 79675-37-9), with molecular formula C22H27N3O and molecular weight 349.22 g/mol. IUPAC: 3-[[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methylamino]cyclopent-2-en-1-one.
Chemical Property Profile of 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-
Property Insights of 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-
The XLogP value of 2.9747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-. With a topological polar surface area (TPSA) of 37.27 Ų, 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)- has 1 hydrogen bond donor(s) and 3 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 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-?
The CAS number of 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)- is 79675-37-9.
What is the molecular formula of 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-?
The molecular formula of 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)- is C22H27N3O.
What is the molecular weight of 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-?
The molecular weight of 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)- is 349.22 g/mol.
Where can I buy 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-?
You can request a quote for 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.