6-Propyl-8-ergolinylacetamide
TL;DR: 6-Propyl-8-ergolinylacetamide (CAS 78415-48-2) is a chemical compound with molecular formula C19H25N3O and molecular weight 311.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6aR,9S)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
Also Known As: 6-Propylergoline-8-acetamide, 6-Propyl-8-ergolinylacetamide, Ergoline-8-acetamide, 6-propyl-, (8beta)-, 2-(6-Propylergolin-8-yl)ethanimidic acid, 2-[(8
| Molecular Formula | C19H25N3O |
|---|---|
| Molecular Weight | 311.20 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.19977 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 78415-48-2 |
|---|---|
| SMILES | CCCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC(=O)N |
| InChIKey | XWZRBPNFOBMXGC-CZZJGDGRSA-N |
Product Overview
6-Propyl-8-ergolinylacetamide (CAS 78415-48-2), with molecular formula C19H25N3O and molecular weight 311.20 g/mol. IUPAC: 2-[(6aR,9S)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide.
Chemical Property Profile of 6-Propyl-8-ergolinylacetamide
Property Insights of 6-Propyl-8-ergolinylacetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Propyl-8-ergolinylacetamide. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Propyl-8-ergolinylacetamide. Following Lipinski's Rule of Five, 6-Propyl-8-ergolinylacetamide has 2 hydrogen bond donor(s) and 2 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 6-Propyl-8-ergolinylacetamide?
The CAS number of 6-Propyl-8-ergolinylacetamide is 78415-48-2.
What is the molecular formula of 6-Propyl-8-ergolinylacetamide?
The molecular formula of 6-Propyl-8-ergolinylacetamide is C19H25N3O.
What is the molecular weight of 6-Propyl-8-ergolinylacetamide?
The molecular weight of 6-Propyl-8-ergolinylacetamide is 311.20 g/mol.
Where can I buy 6-Propyl-8-ergolinylacetamide?
You can request a quote for 6-Propyl-8-ergolinylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Propyl-8-ergolinylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 6-Propyl-8-ergolinylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.