8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline
TL;DR: 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline (CAS 98931-11-4) is a chemical compound with molecular formula C21H28N2 and molecular weight 308.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-9-methyl-7-prop-2-enyl-4-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Also Known As: 6-Allyl-1-propyl-6-norfestuclavine, (8-beta)-8-Methyl-6-(2-propenyl)-1-propylergoline, 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline, Ergoline, 8-methyl-6-(2-propenyl)-1-propyl-, (8-beta)-, (10xi)-8beta-Methyl-6-(prop-2-en-1-yl)-1-propylergoline
| Molecular Formula | C21H28N2 |
|---|---|
| Molecular Weight | 308.23 g/mol |
| LogP | 4.5874 |
| Topological Polar Surface Area | 8.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.22525 |
| Heavy Atoms | 23 |
| Complexity | 726.76196 |
Chemical Identifiers
| CAS Number | 98931-11-4 |
|---|---|
| SMILES | CCCN1C=C2C[C@@H]3C(C[C@H](CN3CC=C)C)C4=C2C1=CC=C4 |
Product Overview
8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline (CAS 98931-11-4), with molecular formula C21H28N2 and molecular weight 308.23 g/mol. IUPAC: (6aR,9R)-9-methyl-7-prop-2-enyl-4-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline.
Chemical Property Profile of 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline
Property Insights of 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline
The XLogP value of 4.5874 indicates that 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.17 Ų, 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline has 0 hydrogen bond donor(s) and 1 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-Methyl-6-(prop-2-en-1-yl)-1-propylergoline?
The CAS number of 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline is 98931-11-4.
What is the molecular formula of 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline?
The molecular formula of 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline is C21H28N2.
What is the molecular weight of 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline?
The molecular weight of 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline is 308.23 g/mol.
Where can I buy 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline?
You can request a quote for 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline?
Yes, KEHONG BIO provides custom synthesis services for 8-Methyl-6-(prop-2-en-1-yl)-1-propylergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.