Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-
TL;DR: Ergoline-6-carbonitrile, 8-methyl-, (8-beta)- (CAS 63719-19-7) is a chemical compound with molecular formula C16H17N3 and molecular weight 251.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-7-carbonitrile
Also Known As: 6-Cyano-6-norfestuclavine, 8-Methylergoline-6-carbonitrile, (8-beta)-8-Methylergoline-6-carbonitrile, Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-, (10xi)-8beta-Methylergoline-6-carbonitrile
| Molecular Formula | C16H17N3 |
|---|---|
| Molecular Weight | 251.14 g/mol |
| LogP | 2.99908 |
| Topological Polar Surface Area | 42.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.14224 |
| Heavy Atoms | 19 |
| Complexity | 678.8491 |
Chemical Identifiers
| CAS Number | 63719-19-7 |
|---|---|
| SMILES | C[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C#N |
Product Overview
Ergoline-6-carbonitrile, 8-methyl-, (8-beta)- (CAS 63719-19-7), with molecular formula C16H17N3 and molecular weight 251.14 g/mol. IUPAC: (6aR,9R)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-7-carbonitrile.
Chemical Property Profile of Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-
Property Insights of Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-
The XLogP value of 2.99908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-. With a topological polar surface area (TPSA) of 42.82 Ų, Ergoline-6-carbonitrile, 8-methyl-, (8-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline-6-carbonitrile, 8-methyl-, (8-beta)- has 1 hydrogen bond donor(s) and 2 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-carbonitrile, 8-methyl-, (8-beta)-?
The CAS number of Ergoline-6-carbonitrile, 8-methyl-, (8-beta)- is 63719-19-7.
What is the molecular formula of Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-?
The molecular formula of Ergoline-6-carbonitrile, 8-methyl-, (8-beta)- is C16H17N3.
What is the molecular weight of Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-?
The molecular weight of Ergoline-6-carbonitrile, 8-methyl-, (8-beta)- is 251.14 g/mol.
Where can I buy Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-?
You can request a quote for Ergoline-6-carbonitrile, 8-methyl-, (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-carbonitrile, 8-methyl-, (8-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Ergoline-6-carbonitrile, 8-methyl-, (8-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.