N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide
TL;DR: N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide (CAS 81409-82-7) 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-tert-butyl-N-(tert-butylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide, Ergoline-8-carboxamide, N-(1,1-dimethylethyl)-N-(((1,1-dimethylethyl)amino)carbonyl)-6-methyl-, (8-beta)-, N,N'-Di-tert-butyl-N-[(6-methylergolin-8-yl)carbonyl]carbamimidic acid, N,N'-Di-tert-butyl-N-{[(10xi)-6-methylergolin-8beta-yl]carbonyl}carbamimidic acid, BRN 6014493
| 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 | 1 |
| Exact Mass | 424.2838 |
| Heavy Atoms | 31 |
| Complexity | 1010.67896 |
Chemical Identifiers
| CAS Number | 81409-82-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)N(C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C)C(C)(C)C |
Product Overview
N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide (CAS 81409-82-7), with molecular formula C25H36N4O2 and molecular weight 424.28 g/mol. IUPAC: (6aR,9R)-N-tert-butyl-N-(tert-butylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide
Property Insights of N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide
The XLogP value of 4.2631 indicates that N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-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-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide. Following Lipinski's Rule of Five, N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-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-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide?
The CAS number of N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide is 81409-82-7.
What is the molecular formula of N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide?
The molecular formula of N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide is C25H36N4O2.
What is the molecular weight of N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide?
The molecular weight of N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide is 424.28 g/mol.
Where can I buy N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide?
You can request a quote for N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-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-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-((tert-butylamino)carbonyl)-6-methylergoline-8-beta-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.