Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-
TL;DR: Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl- (CAS 3428-35-1) is a chemical compound with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxylic acid
Also Known As: 1-Methyllysergic acid, 1-methyl-lysergic acid, Lysergic acid, 1-methyl-, KST-1A3994, Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-
| Molecular Formula | C17H18N2O2 |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.13684 |
| Heavy Atoms | 21 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 3428-35-1 |
|---|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1CC3=CN(C4=CC=CC2=C34)C)C(=O)O |
| InChIKey | WGZBEDCLEXJQGW-IAQYHMDHSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl- (CAS 3428-35-1), with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol. IUPAC: (6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxylic acid.
Chemical Property Profile of Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-
Property Insights of Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-. With a topological polar surface area (TPSA) of 45.5 Ų, Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl- has 1 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 Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-?
The CAS number of Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl- is 3428-35-1.
What is the molecular formula of Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-?
The molecular formula of Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl- is C17H18N2O2.
What is the molecular weight of Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-?
The molecular weight of Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl- is 282.14 g/mol.
Where can I buy Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-?
You can request a quote for Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Ergoline-8beta-carboxylic acid, 9,10-didehydro-1,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.