N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide
TL;DR: N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide (CAS 81409-86-1) is a chemical compound with molecular formula C31H42N4O2 and molecular weight 502.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide, (8-beta)-N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-carboxamide, Ergoline-8-carboxamide, N-cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)-, (8-beta)-, N,N'-Dicyclohexyl-N-{[6-(prop-2-en-1-yl)ergolin-8-yl]carbonyl}carbamimidic acid, (6aR,9R)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
| Molecular Formula | C31H42N4O2 |
|---|---|
| Molecular Weight | 502.33 g/mol |
| LogP | 5.8877 |
| Topological Polar Surface Area | 68.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.33078 |
| Heavy Atoms | 37 |
| Complexity | 1143.2795 |
Chemical Identifiers
| CAS Number | 81409-86-1 |
|---|---|
| SMILES | C=CCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(C5CCCCC5)C(=O)NC6CCCCC6 |
Product Overview
N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide (CAS 81409-86-1), with molecular formula C31H42N4O2 and molecular weight 502.33 g/mol. IUPAC: (6aR,9R)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide
Property Insights of N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide
The XLogP value of 5.8877 indicates that N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide. Following Lipinski's Rule of Five, N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide?
The CAS number of N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide is 81409-86-1.
What is the molecular formula of N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide?
The molecular formula of N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide is C31H42N4O2.
What is the molecular weight of N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide?
The molecular weight of N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide is 502.33 g/mol.
Where can I buy N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide?
You can request a quote for N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergoline-8-beta-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.