(8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2)
TL;DR: (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2) (CAS 59033-49-7) is a chemical compound with molecular formula C27H35N3O8 and molecular weight 529.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-ethylethanamine;bis((E)-but-2-enedioic acid)
Also Known As: (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2), D-6-Methyl-8-(beta-ethylaminoethyl)ergoline-I bis(hydrogen maleate), Ergoline-8-ethanamine, N-ethyl-6-methyl-, (8-beta)-, (Z)-2-butenedioate (1:2)
| Molecular Formula | C27H35N3O8 |
|---|---|
| Molecular Weight | 529.24 g/mol |
| LogP | 2.5511 |
| Topological Polar Surface Area | 180.26 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.24243 |
| Heavy Atoms | 38 |
| Complexity | 1120.196 |
Chemical Identifiers
| CAS Number | 59033-49-7 |
|---|---|
| SMILES | CCNCC[C@H]1CN([C@H]2C(C1)C3=C4C(=CC=C3)NC=C4C2)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
(8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2) (CAS 59033-49-7), with molecular formula C27H35N3O8 and molecular weight 529.24 g/mol. IUPAC: 2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-ethylethanamine;bis((E)-but-2-enedioic acid).
Chemical Property Profile of (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2)
Property Insights of (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2)
The XLogP value of 2.5511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2). The TPSA of 180.26 Ų indicates high polarity, suggesting (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2) has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2)?
The CAS number of (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2) is 59033-49-7.
What is the molecular formula of (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2)?
The molecular formula of (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2) is C27H35N3O8.
What is the molecular weight of (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2)?
The molecular weight of (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2) is 529.24 g/mol.
Where can I buy (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2)?
You can request a quote for (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for (8-beta)-N-Ethyl-6-methylergoline-8-ethanamine (Z)-2-butenedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.