Dihydroisolysergic acid methyl ester
TL;DR: Dihydroisolysergic acid methyl ester (CAS 35470-53-2) is a chemical compound with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
Also Known As: Methyl dihydrolysergate, dihydroisolysergic acid methyl ester, Methyl 6-methylergoline-8alpha-carboxylate, 6-Methylergoline-8alpha-carboxylic acid methyl ester, Ergoline-8-carboxylic acid, 6-methyl-, methyl ester, (8beta)-
| Molecular Formula | C17H20N2O2 |
|---|---|
| Molecular Weight | 284.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.15247 |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 35470-53-2 |
|---|---|
| SMILES | CN1C[C@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)OC |
| InChIKey | OSKZYLPFYNARRX-NJZAAPMLSA-N |
Product Overview
Dihydroisolysergic acid methyl ester (CAS 35470-53-2), with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol. IUPAC: methyl (6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate.
Chemical Property Profile of Dihydroisolysergic acid methyl ester
Property Insights of Dihydroisolysergic acid methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydroisolysergic acid methyl ester. With a topological polar surface area (TPSA) of 45.3 Ų, Dihydroisolysergic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydroisolysergic acid methyl ester 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 Dihydroisolysergic acid methyl ester?
The CAS number of Dihydroisolysergic acid methyl ester is 35470-53-2.
What is the molecular formula of Dihydroisolysergic acid methyl ester?
The molecular formula of Dihydroisolysergic acid methyl ester is C17H20N2O2.
What is the molecular weight of Dihydroisolysergic acid methyl ester?
The molecular weight of Dihydroisolysergic acid methyl ester is 284.15 g/mol.
Where can I buy Dihydroisolysergic acid methyl ester?
You can request a quote for Dihydroisolysergic 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 Dihydroisolysergic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dihydroisolysergic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.