6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid
TL;DR: 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid (CAS 2410-19-7) is a chemical compound with molecular formula C16H19N3O and molecular weight 269.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Dihydrolysergic acid amide, 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid, 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8beta-carboximidic acid
| Molecular Formula | C16H19N3O |
|---|---|
| Molecular Weight | 269.15 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.1528 |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 2410-19-7 |
|---|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1CC3CNC4=CC=CC2=C34)C(=O)N |
| InChIKey | ITBOACXGWYGOHV-WUMONGPASA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid (CAS 2410-19-7), with molecular formula C16H19N3O and molecular weight 269.15 g/mol. IUPAC: (6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid
Property Insights of 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid. With a topological polar surface area (TPSA) of 58.4 Ų, 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid 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 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid?
The CAS number of 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid is 2410-19-7.
What is the molecular formula of 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid?
The molecular formula of 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid is C16H19N3O.
What is the molecular weight of 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid?
The molecular weight of 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid is 269.15 g/mol.
Where can I buy 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid?
You can request a quote for 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-9,10-didehydro-2,3-dihydroergoline-8-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.