Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-
TL;DR: Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)- (CAS 105579-48-4) is a chemical compound with molecular formula C17H20N6 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: 6-Methyl-8-(1H-tetrazol-1-ylmethyl)ergoline (8-beta)-, Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-, 6-Methyl-8-[(1H-tetrazol-1-yl)methyl]ergoline, (10xi)-6-Methyl-8beta-[(1H-tetrazol-1-yl)methyl]ergoline, RefChem:339666
| Molecular Formula | C17H20N6 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 1.8146 |
| Topological Polar Surface Area | 62.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.17496 |
| Heavy Atoms | 23 |
| Complexity | 836.02075 |
Chemical Identifiers
| CAS Number | 105579-48-4 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=NN=N5 |
Product Overview
Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)- (CAS 105579-48-4), with molecular formula C17H20N6 and molecular weight 308.17 g/mol. IUPAC: (6aR,9R)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-
Property Insights of Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-
The XLogP value of 1.8146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-. The TPSA of 62.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-. Following Lipinski's Rule of Five, Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)- has 1 hydrogen bond donor(s) and 4 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 Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-?
The CAS number of Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)- is 105579-48-4.
What is the molecular formula of Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-?
The molecular formula of Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)- is C17H20N6.
What is the molecular weight of Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-?
The molecular weight of Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)- is 308.17 g/mol.
Where can I buy Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-?
You can request a quote for Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Ergoline, 6-methyl-8-(1H-tetrazol-1-ylmethyl)-, (8-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.