麦角酸甲酯
TL;DR: 麦角酸甲酯 (CAS 4579-64-0) 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.
麦角酸甲酯
methyl 7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
Also Known As: Methyl lysergate, Methyl D-lysergate, D-Lysergic acid methyl ester, Lysergic acid methyl ester, methyl 9,10-didehydro-6-methylergoline-8
| Molecular Formula | C17H18N2O2 |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.13684 |
| Heavy Atoms | 21 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 4579-64-0 |
|---|---|
| SMILES | CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)OC |
| InChIKey | RNHDWLRHUJZABX-UHFFFAOYSA-N |
Product Overview
麦角酸甲酯 (CAS 4579-64-0), with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol. IUPAC: methyl 7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate.
Chemical Property Profile of 麦角酸甲酯
Property Insights of 麦角酸甲酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 麦角酸甲酯. With a topological polar surface area (TPSA) of 45.3 Ų, 麦角酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 麦角酸甲酯 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 麦角酸甲酯?
The CAS number of 麦角酸甲酯 is 4579-64-0.
What is the molecular formula of 麦角酸甲酯?
The molecular formula of 麦角酸甲酯 is C17H18N2O2.
What is the molecular weight of 麦角酸甲酯?
The molecular weight of 麦角酸甲酯 is 282.14 g/mol.
Where can I buy 麦角酸甲酯?
You can request a quote for 麦角酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 麦角酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 麦角酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.