10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester
TL;DR: 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester (CAS 23495-65-0) is a chemical compound with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
Also Known As: Methyl 10-methoxy-6-methylergoline-8-carboxylate #, Ergoline-8alpha-carboxylic acid, 10beta-methoxy-6-methyl-, methyl ester, 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester, methyl 10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinoline-9-carboxylate, 10beta-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester
| Molecular Formula | C18H22N2O3 |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.16306 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 23495-65-0 |
|---|---|
| SMILES | CN1CC(CC2(C1CC3=CNC4=CC=CC2=C34)OC)C(=O)OC |
| InChIKey | SCWPBCNOFOVVGZ-UHFFFAOYSA-N |
Product Overview
10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester (CAS 23495-65-0), with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol. IUPAC: methyl 10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinoline-9-carboxylate.
Chemical Property Profile of 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester
Property Insights of 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 54.6 Ų, 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester has 1 hydrogen bond donor(s) and 4 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 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester?
The CAS number of 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester is 23495-65-0.
What is the molecular formula of 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester?
The molecular formula of 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester is C18H22N2O3.
What is the molecular weight of 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester?
The molecular weight of 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester is 314.16 g/mol.
Where can I buy 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester?
You can request a quote for 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 10-Methoxy-6-methylergoline-8beta-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.