N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide
TL;DR: N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide (CAS 126554-49-2) is a chemical compound with molecular formula C30H37N5O2 and molecular weight 499.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(phenylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide, Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)-,(8-beta)-, N-[3-(Dimethylamino)propyl]-N'-phenyl-N-{[(10xi)-6-(prop-2-en-1-yl)ergolin-8beta-yl]carbonyl}carbamimidic acid, N-[3-(Dimethylamino)propyl]-N'-phenyl-N-{[6-(prop-2-en-1-yl)ergolin-8-yl]carbonyl}carbamimidic acid, BRN 6030101
| Molecular Formula | C30H37N5O2 |
|---|---|
| Molecular Weight | 499.29 g/mol |
| LogP | 4.6965 |
| Topological Polar Surface Area | 71.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.29474 |
| Heavy Atoms | 37 |
| Complexity | 1267.4722 |
Chemical Identifiers
| CAS Number | 126554-49-2 |
|---|---|
| SMILES | CN(C)CCCN(C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C)C(=O)NC5=CC=CC=C5 |
Product Overview
N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide (CAS 126554-49-2), with molecular formula C30H37N5O2 and molecular weight 499.29 g/mol. IUPAC: (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(phenylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide
Property Insights of N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide
The XLogP value of 4.6965 indicates that N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide. Following Lipinski's Rule of Five, N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide has 2 hydrogen bond donor(s) and 4 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-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide?
The CAS number of N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide is 126554-49-2.
What is the molecular formula of N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide?
The molecular formula of N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide is C30H37N5O2.
What is the molecular weight of N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide?
The molecular weight of N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide is 499.29 g/mol.
Where can I buy N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide?
You can request a quote for N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(Dimethylamino)propyl)-N-((phenylamino)carbonyl)-6-(2-propenyl)ergoline-8beta-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.