麥角乙脲
TL;DR: 麥角乙脲 (CAS 18016-80-3) is a chemical compound with molecular formula C20H26N4O and molecular weight 338.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
麥角乙脲
3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Also Known As: LISURIDE, Lysuride, Lisurida, Lisuridum, Lysurid
| Molecular Formula | C20H26N4O |
|---|---|
| Molecular Weight | 338.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.21066 |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
| Solubility | 1.40e-01 g/L |
Chemical Identifiers
| CAS Number | 18016-80-3 |
|---|---|
| SMILES | CCN(CC)C(=O)N[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C |
| InChIKey | BKRGVLQUQGGVSM-KBXCAEBGSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
麥角乙脲 (CAS 18016-80-3), with molecular formula C20H26N4O and molecular weight 338.21 g/mol. IUPAC: 3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea.
Chemical Property Profile of 麥角乙脲
Property Insights of 麥角乙脲
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 麥角乙脲. With a topological polar surface area (TPSA) of 51.4 Ų, 麥角乙脲 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 麥角乙脲 has 2 hydrogen bond donor(s) and 2 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 麥角乙脲?
The CAS number of 麥角乙脲 is 18016-80-3.
What is the molecular formula of 麥角乙脲?
The molecular formula of 麥角乙脲 is C20H26N4O.
What is the molecular weight of 麥角乙脲?
The molecular weight of 麥角乙脲 is 338.21 g/mol.
Where can I buy 麥角乙脲?
You can request a quote for 麥角乙脲 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 麥角乙脲?
Yes, KEHONG BIO provides custom synthesis services for 麥角乙脲 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.