田麦角碱
TL;DR: 田麦角碱 (CAS 548-42-5) is a chemical compound with molecular formula C16H18N2 and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
田麦角碱
(6aR,10aR)-7,9-dimethyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Agroclavine, (-)-agroclavine, 8,9-Didehydro-6,8-dimethylergoline, dimethyl[?], (5R,10R)-agroclavine
| Molecular Formula | C16H18N2 |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.147 |
| Heavy Atoms | 18 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 548-42-5 |
|---|---|
| SMILES | CC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
| InChIKey | XJOOMMHNYOJWCZ-UKRRQHHQSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
田麦角碱 (CAS 548-42-5), with molecular formula C16H18N2 and molecular weight 238.15 g/mol. IUPAC: (6aR,10aR)-7,9-dimethyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of 田麦角碱
Property Insights of 田麦角碱
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 田麦角碱. With a topological polar surface area (TPSA) of 19.0 Ų, 田麦角碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 田麦角碱 has 1 hydrogen bond donor(s) and 1 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 田麦角碱?
The CAS number of 田麦角碱 is 548-42-5.
What is the molecular formula of 田麦角碱?
The molecular formula of 田麦角碱 is C16H18N2.
What is the molecular weight of 田麦角碱?
The molecular weight of 田麦角碱 is 238.15 g/mol.
Where can I buy 田麦角碱?
You can request a quote for 田麦角碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 田麦角碱?
Yes, KEHONG BIO provides custom synthesis services for 田麦角碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.