2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid
TL;DR: 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid (CAS 74627-30-8) is a chemical compound with molecular formula C25H26N4O and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-cyano-N-phenylpropanamide
Also Known As: alpha-Cyano-6-methyl-N-phenylergoline-8-beta-propanamide, Ergoline-8-propanamide, alpha-cyano-6-methyl-N-phenyl-, (8-beta)-, 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid, 2-Cyano-3-[(10xi)-6-methylergolin-8beta-yl]-N-phenylpropanimidic acid, 3-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-2-cyano-N-phenylpropanamide
| Molecular Formula | C25H26N4O |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 4.29648 |
| Topological Polar Surface Area | 71.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.21066 |
| Heavy Atoms | 30 |
| Complexity | 1113.1292 |
Chemical Identifiers
| CAS Number | 74627-30-8 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC(C#N)C(=O)NC5=CC=CC=C5 |
Product Overview
2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid (CAS 74627-30-8), with molecular formula C25H26N4O and molecular weight 398.21 g/mol. IUPAC: 3-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-cyano-N-phenylpropanamide.
Chemical Property Profile of 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid
Property Insights of 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid
The XLogP value of 4.29648 indicates that 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid. Following Lipinski's Rule of Five, 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid has 2 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 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid?
The CAS number of 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid is 74627-30-8.
What is the molecular formula of 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid?
The molecular formula of 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid is C25H26N4O.
What is the molecular weight of 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid?
The molecular weight of 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid is 398.21 g/mol.
Where can I buy 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid?
You can request a quote for 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(6-methylergolin-8-yl)-N-phenylpropanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.