2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid
TL;DR: 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid (CAS 74627-32-0) is a chemical compound with molecular formula C21H26N4O and molecular weight 350.21 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-ethylpropanamide
Also Known As: alpha-Cyano-N-ethyl-6-methylergoline-8-beta-propionamide, Ergoline-8-beta-propionamide, alpha-cyano-N-ethyl-6-methyl-, 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid, Ergoline-8-propanamide, alpha-cyano-N-ethyl-6-methyl-, (8-beta)-, 2-Cyano-N-ethyl-3-[(10xi)-6-methylergolin-8beta-yl]propanimidic acid
| Molecular Formula | C21H26N4O |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 2.79388 |
| Topological Polar Surface Area | 71.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.21066 |
| Heavy Atoms | 26 |
| Complexity | 864.5085 |
Chemical Identifiers
| CAS Number | 74627-32-0 |
|---|---|
| SMILES | CCNC(=O)C(C[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C)C#N |
Product Overview
2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid (CAS 74627-32-0), with molecular formula C21H26N4O and molecular weight 350.21 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-ethylpropanamide.
Chemical Property Profile of 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid
Property Insights of 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid
The XLogP value of 2.79388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid. The TPSA of 71.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid. Following Lipinski's Rule of Five, 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic 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-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid?
The CAS number of 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid is 74627-32-0.
What is the molecular formula of 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid?
The molecular formula of 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid is C21H26N4O.
What is the molecular weight of 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid?
The molecular weight of 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid is 350.21 g/mol.
Where can I buy 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid?
You can request a quote for 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic 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-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-N-ethyl-3-(6-methylergolin-8-yl)propanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.