Methyl 6-ethylergoline-8-carboxylate
TL;DR: Methyl 6-ethylergoline-8-carboxylate (CAS 35361-20-7) is a chemical compound with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (6aR,9R)-7-ethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
Also Known As: Methyl 6-ethylergoline-8-carboxylate, 6-Ethylergoline-8-beta-carboxylic acid methyl ester, 6-Ethyl-6-nor-9,10-dihydrolysergic acid methyl ester, 6-Nor-6-ethyl-9,10-dihydrolysergic acid methyl ester, methyl(8
| Molecular Formula | C18H22N2O2 |
|---|---|
| Molecular Weight | 298.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.16812 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 35361-20-7 |
|---|---|
| SMILES | CCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)OC |
| InChIKey | PNOZAMLZQWTXHK-QXDOLYAVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-ethylergoline-8-carboxylate (CAS 35361-20-7), with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol. IUPAC: methyl (6aR,9R)-7-ethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate.
Chemical Property Profile of Methyl 6-ethylergoline-8-carboxylate
Property Insights of Methyl 6-ethylergoline-8-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-ethylergoline-8-carboxylate. With a topological polar surface area (TPSA) of 45.3 Ų, Methyl 6-ethylergoline-8-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-ethylergoline-8-carboxylate 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 Methyl 6-ethylergoline-8-carboxylate?
The CAS number of Methyl 6-ethylergoline-8-carboxylate is 35361-20-7.
What is the molecular formula of Methyl 6-ethylergoline-8-carboxylate?
The molecular formula of Methyl 6-ethylergoline-8-carboxylate is C18H22N2O2.
What is the molecular weight of Methyl 6-ethylergoline-8-carboxylate?
The molecular weight of Methyl 6-ethylergoline-8-carboxylate is 298.17 g/mol.
Where can I buy Methyl 6-ethylergoline-8-carboxylate?
You can request a quote for Methyl 6-ethylergoline-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-ethylergoline-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-ethylergoline-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.