Ergocornam
TL;DR: Ergocornam (CAS 77477-94-2) is a chemical compound with molecular formula C31H39N5O4 and molecular weight 545.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1,4-dioxo-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Ergocornam, Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-N-((1S)-2-methyl-1-(((3S,8aR)-tetrahydro-3-(1-methylethyl)-1,4-dioxopyrrolo(1,2-a)pyrazin-2(3H)-yl)carbonyl)propyl)-, (8beta)- 4, Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester, N-{1-[1,4-Dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboximidic acid
| Molecular Formula | C31H39N5O4 |
|---|---|
| Molecular Weight | 545.30 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 545.30023 |
| Heavy Atoms | 40 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 77477-94-2 |
|---|---|
| SMILES | CC(C)C1C(=O)N2CCCC2C(=O)N1C(=O)C(C(C)C)NC(=O)C3CN(C4CC5=CNC6=CC=CC(=C56)C4=C3)C |
| InChIKey | HGFXZZULRBUAON-UHFFFAOYSA-N |
Product Overview
Ergocornam (CAS 77477-94-2), with molecular formula C31H39N5O4 and molecular weight 545.30 g/mol. IUPAC: N-[1-(1,4-dioxo-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Ergocornam
Property Insights of Ergocornam
The XLogP value of 3.2 indicates that Ergocornam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergocornam. Following Lipinski's Rule of Five, Ergocornam has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ergocornam?
The CAS number of Ergocornam is 77477-94-2.
What is the molecular formula of Ergocornam?
The molecular formula of Ergocornam is C31H39N5O4.
What is the molecular weight of Ergocornam?
The molecular weight of Ergocornam is 545.30 g/mol.
Where can I buy Ergocornam?
You can request a quote for Ergocornam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergocornam?
Yes, KEHONG BIO provides custom synthesis services for Ergocornam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.