羊茅麦角碱
TL;DR: 羊茅麦角碱 (CAS 569-26-6) is a chemical compound with molecular formula C16H20N2 and molecular weight 240.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羊茅麦角碱
(6aR,9R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Festuclavine, Festuclavin, 6,8-beta-Dimethylergoline, D-6,8-Dimethylergoline-I, ENO1
| Molecular Formula | C16H20N2 |
|---|---|
| Molecular Weight | 240.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.16264 |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 569-26-6 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
| InChIKey | VLMZMRDOMOGGFA-WDBKCZKBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羊茅麦角碱 (CAS 569-26-6), with molecular formula C16H20N2 and molecular weight 240.16 g/mol. IUPAC: (6aR,9R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of 羊茅麦角碱
Property Insights of 羊茅麦角碱
The XLogP value of 3.2 indicates that 羊茅麦角碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 Ų, 羊茅麦角碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羊茅麦角碱 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 羊茅麦角碱?
The CAS number of 羊茅麦角碱 is 569-26-6.
What is the molecular formula of 羊茅麦角碱?
The molecular formula of 羊茅麦角碱 is C16H20N2.
What is the molecular weight of 羊茅麦角碱?
The molecular weight of 羊茅麦角碱 is 240.16 g/mol.
Where can I buy 羊茅麦角碱?
You can request a quote for 羊茅麦角碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羊茅麦角碱?
Yes, KEHONG BIO provides custom synthesis services for 羊茅麦角碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.