2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid
TL;DR: 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid (CAS 74627-39-7) is a chemical compound with molecular formula C20H24N4O and molecular weight 336.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide
Also Known As: alpha-Cyano-1,6-dimethylergoline-8-propionamide, Ergoline-8-propanamide, alpha-cyano-1,6-dimethyl-, (8-beta)-, 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid, Ergoline-8-propionamide, alpha-cyano-1,6-dimethyl-, (8-beta)-, 2-Cyano-3-[(10xi)-1,6-dimethylergolin-8beta-yl]propanimidic acid
| Molecular Formula | C20H24N4O |
|---|---|
| Molecular Weight | 336.19 g/mol |
| LogP | 2.15348 |
| Topological Polar Surface Area | 75.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.195 |
| Heavy Atoms | 25 |
| Complexity | 877.6839 |
Chemical Identifiers
| CAS Number | 74627-39-7 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CC(C#N)C(=O)N |
Product Overview
2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid (CAS 74627-39-7), with molecular formula C20H24N4O and molecular weight 336.19 g/mol. IUPAC: 3-[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide.
Chemical Property Profile of 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid
Property Insights of 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid
The XLogP value of 2.15348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid. The TPSA of 75.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid. Following Lipinski's Rule of Five, 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid has 1 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-(1,6-dimethylergolin-8-yl)propanimidic acid?
The CAS number of 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid is 74627-39-7.
What is the molecular formula of 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid?
The molecular formula of 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid is C20H24N4O.
What is the molecular weight of 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid?
The molecular weight of 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid is 336.19 g/mol.
Where can I buy 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid?
You can request a quote for 2-Cyano-3-(1,6-dimethylergolin-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-3-(1,6-dimethylergolin-8-yl)propanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(1,6-dimethylergolin-8-yl)propanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.