4-Hydroxyamesergide
TL;DR: 4-Hydroxyamesergide (CAS 121566-75-4) is a chemical compound with molecular formula C25H35N3O2 and molecular weight 409.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R,10aR)-N-(4-hydroxycyclohexyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
Also Known As: 4-Hydroxyamesergide, (6aR,9R,10aR)-N-(4-hydroxycyclohexyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide, N-(4-Hydroxycyclohexyl)-1-isopropyl-6-methylergoline-8beta-carboxamide, N-(4-Hydroxycyclohexyl)-6-methyl-1-(propan-2-yl)ergoline-8beta-carboxamide, Ergoline-8-carboxamide,N-(4-hydroxycyclohexyl)-6-methyl-1-(1-methylethyl)-,(8beta(trans))
| Molecular Formula | C25H35N3O2 |
|---|---|
| Molecular Weight | 409.27 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.27292 |
| Heavy Atoms | 30 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 121566-75-4 |
|---|---|
| SMILES | CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)NC4CCC(CC4)O)C5=C2C1=CC=C5 |
| InChIKey | CWFUIPWFPMISLQ-MRMDNLSOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxyamesergide (CAS 121566-75-4), with molecular formula C25H35N3O2 and molecular weight 409.27 g/mol. IUPAC: (6aR,9R,10aR)-N-(4-hydroxycyclohexyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of 4-Hydroxyamesergide
Property Insights of 4-Hydroxyamesergide
The XLogP value of 3.0 indicates that 4-Hydroxyamesergide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hydroxyamesergide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxyamesergide has 2 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 4-Hydroxyamesergide?
The CAS number of 4-Hydroxyamesergide is 121566-75-4.
What is the molecular formula of 4-Hydroxyamesergide?
The molecular formula of 4-Hydroxyamesergide is C25H35N3O2.
What is the molecular weight of 4-Hydroxyamesergide?
The molecular weight of 4-Hydroxyamesergide is 409.27 g/mol.
Where can I buy 4-Hydroxyamesergide?
You can request a quote for 4-Hydroxyamesergide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyamesergide?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyamesergide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.