3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid
TL;DR: 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid (CAS 74627-56-8) is a chemical compound with molecular formula C19H21ClN4O and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide
Also Known As: 2-Chloro-alpha-cyano-6-methylergoline-8-propionamide, Ergoline-8-propanamide, 2-chloro-alpha-cyano-6-methyl-, (8-beta)-, 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid, Ergoline-8-propionamide, 2-chloro-alpha-cyano-6-methyl-, (8-beta)-, 3-[(10xi)-2-Chloro-6-methylergolin-8beta-yl]-2-cyanopropanimidic acid
| Molecular Formula | C19H21ClN4O |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 2.79648 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.14038 |
| Heavy Atoms | 25 |
| Complexity | 883.4118 |
Chemical Identifiers
| CAS Number | 74627-56-8 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CC(C#N)C(=O)N |
Product Overview
3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid (CAS 74627-56-8), with molecular formula C19H21ClN4O and molecular weight 356.14 g/mol. IUPAC: 3-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide.
Chemical Property Profile of 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid
Property Insights of 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid
The XLogP value of 2.79648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid. The TPSA of 85.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid. Following Lipinski's Rule of Five, 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic 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 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid?
The CAS number of 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid is 74627-56-8.
What is the molecular formula of 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid?
The molecular formula of 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid is C19H21ClN4O.
What is the molecular weight of 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid?
The molecular weight of 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid is 356.14 g/mol.
Where can I buy 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid?
You can request a quote for 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.