8-epi Nicergoline
TL;DR: 8-epi Nicergoline (CAS 58001-19-7) is a chemical compound with molecular formula C24H26BrN3O3 and molecular weight 483.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR,9S,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate
Also Known As: 8-epi Nicergoline, nicergoline, Nicergoline EP impurity F, Nicergoline EP Impurity F(Rss), ((6aR,9S,10aS)-10a-methoxy-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl 5-bromonicotinate
| Molecular Formula | C24H26BrN3O3 |
|---|---|
| Molecular Weight | 483.12 g/mol |
| LogP | 3.9109 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.11575 |
| Heavy Atoms | 31 |
| Complexity | 1160.1771 |
Chemical Identifiers
| CAS Number | 58001-19-7 |
|---|---|
| SMILES | CN1C[C@H](C[C@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br |
Product Overview
8-epi Nicergoline (CAS 58001-19-7), with molecular formula C24H26BrN3O3 and molecular weight 483.12 g/mol. IUPAC: [(6aR,9S,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 8-epi Nicergoline
Property Insights of 8-epi Nicergoline
The XLogP value of 3.9109 indicates that 8-epi Nicergoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, 8-epi Nicergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-epi Nicergoline has 0 hydrogen bond donor(s) and 5 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-epi Nicergoline?
The CAS number of 8-epi Nicergoline is 58001-19-7.
What is the molecular formula of 8-epi Nicergoline?
The molecular formula of 8-epi Nicergoline is C24H26BrN3O3.
What is the molecular weight of 8-epi Nicergoline?
The molecular weight of 8-epi Nicergoline is 483.12 g/mol.
Where can I buy 8-epi Nicergoline?
You can request a quote for 8-epi Nicergoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-epi Nicergoline?
Yes, KEHONG BIO provides custom synthesis services for 8-epi Nicergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.