3-(6-Methylergolin-8-yl)propanimidic acid
TL;DR: 3-(6-Methylergolin-8-yl)propanimidic acid (CAS 85352-48-3) is a chemical compound with molecular formula C18H23N3O and molecular weight 297.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]propanamide
Also Known As: 6-Methylergoline-8-beta-propionamide, Ergoline-8-beta-propionamide, 6-methyl-, Ergoline-8-propanamide, 6-methyl-, (8-beta)-, 3-(6-Methylergolin-8-yl)propanimidic acid, trans-5(10-9)abeo-6-Methyl-ergoline-8-beta-propionamide
| Molecular Formula | C18H23N3O |
|---|---|
| Molecular Weight | 297.18 g/mol |
| LogP | 2.3934 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1841 |
| Heavy Atoms | 22 |
| Complexity | 720.1906 |
Chemical Identifiers
| CAS Number | 85352-48-3 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CCC(=O)N |
Product Overview
3-(6-Methylergolin-8-yl)propanimidic acid (CAS 85352-48-3), with molecular formula C18H23N3O and molecular weight 297.18 g/mol. IUPAC: 3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]propanamide.
Chemical Property Profile of 3-(6-Methylergolin-8-yl)propanimidic acid
Property Insights of 3-(6-Methylergolin-8-yl)propanimidic acid
The XLogP value of 2.3934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Methylergolin-8-yl)propanimidic acid. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Methylergolin-8-yl)propanimidic acid. Following Lipinski's Rule of Five, 3-(6-Methylergolin-8-yl)propanimidic acid 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 3-(6-Methylergolin-8-yl)propanimidic acid?
The CAS number of 3-(6-Methylergolin-8-yl)propanimidic acid is 85352-48-3.
What is the molecular formula of 3-(6-Methylergolin-8-yl)propanimidic acid?
The molecular formula of 3-(6-Methylergolin-8-yl)propanimidic acid is C18H23N3O.
What is the molecular weight of 3-(6-Methylergolin-8-yl)propanimidic acid?
The molecular weight of 3-(6-Methylergolin-8-yl)propanimidic acid is 297.18 g/mol.
Where can I buy 3-(6-Methylergolin-8-yl)propanimidic acid?
You can request a quote for 3-(6-Methylergolin-8-yl)propanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Methylergolin-8-yl)propanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Methylergolin-8-yl)propanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.