N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide
TL;DR: N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide (CAS 81409-76-9) is a chemical compound with molecular formula C25H36N4O2 and molecular weight 424.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide, (8-beta)-N-(1-Methylethyl)-N-(((1-methylethyl)amino)carbonyl)-6-propylergoline-8-carboxamide, Ergoline-8-carboxamide, N-(1-methylethyl)-N-(((1-methylethyl)amino)carbonyl)-6-propyl-, (8-beta)-, N,N'-Dipropan-2-yl-N-[(6-propylergolin-8-yl)carbonyl]carbamimidic acid, N,N'-Di(propan-2-yl)-N-{[(10xi)-6-propylergolin-8beta-yl]carbonyl}carbamimidic acid
| Molecular Formula | C25H36N4O2 |
|---|---|
| Molecular Weight | 424.28 g/mol |
| LogP | 4.2631 |
| Topological Polar Surface Area | 68.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.2838 |
| Heavy Atoms | 31 |
| Complexity | 963.58276 |
Chemical Identifiers
| CAS Number | 81409-76-9 |
|---|---|
| SMILES | CCCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(C(C)C)C(=O)NC(C)C |
Product Overview
N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide (CAS 81409-76-9), with molecular formula C25H36N4O2 and molecular weight 424.28 g/mol. IUPAC: (6aR,9R)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide
Property Insights of N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide
The XLogP value of 4.2631 indicates that N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-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-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide. Following Lipinski's Rule of Five, N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide 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 N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide?
The CAS number of N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide is 81409-76-9.
What is the molecular formula of N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide?
The molecular formula of N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide is C25H36N4O2.
What is the molecular weight of N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide?
The molecular weight of N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide is 424.28 g/mol.
Where can I buy N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide?
You can request a quote for N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-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-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropyl-N-((isopropylamino)carbonyl)-6-n-propylergoline-8-beta-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.