狼尾草麦角碱
TL;DR: 狼尾草麦角碱 (CAS 519-13-1) is a chemical compound with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
狼尾草麦角碱
(6aR,9S)-9-(hydroxymethyl)-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-ol
Also Known As: Penniclavine, Penniclavin, Mycaminose, Ergoline-8beta-methanol, 9,10-didehydro-8-hydroxy-6-methyl-, 9,10-Didehydro-8-hydroxy-6-methylergoline-8beta-methanol
| Molecular Formula | C16H18N2O2 |
|---|---|
| Molecular Weight | 270.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.13684 |
| Heavy Atoms | 20 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 519-13-1 |
|---|---|
| SMILES | CN1C[C@@](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)(CO)O |
| InChIKey | KCHBNRCSCHMJFD-ZBFHGGJFSA-N |
Product Overview
狼尾草麦角碱 (CAS 519-13-1), with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol. IUPAC: (6aR,9S)-9-(hydroxymethyl)-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-ol.
Chemical Property Profile of 狼尾草麦角碱
Property Insights of 狼尾草麦角碱
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 狼尾草麦角碱. With a topological polar surface area (TPSA) of 59.5 Ų, 狼尾草麦角碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 狼尾草麦角碱 has 3 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 狼尾草麦角碱?
The CAS number of 狼尾草麦角碱 is 519-13-1.
What is the molecular formula of 狼尾草麦角碱?
The molecular formula of 狼尾草麦角碱 is C16H18N2O2.
What is the molecular weight of 狼尾草麦角碱?
The molecular weight of 狼尾草麦角碱 is 270.14 g/mol.
Where can I buy 狼尾草麦角碱?
You can request a quote for 狼尾草麦角碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 狼尾草麦角碱?
Yes, KEHONG BIO provides custom synthesis services for 狼尾草麦角碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.