LY 116467
TL;DR: LY 116467 (CAS 57202-76-3) is a chemical compound with molecular formula C17H22N2S and molecular weight 286.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-7-methyl-9-(methylsulfanylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: LY 116467, 6-Methyl-8-((methylthio)methyl)ergoline (8beta)
| Molecular Formula | C17H22N2S |
|---|---|
| Molecular Weight | 286.15 g/mol |
| LogP | 3.4909 |
| Topological Polar Surface Area | 19.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.15036 |
| Heavy Atoms | 20 |
| Complexity | 632.9518 |
Chemical Identifiers
| CAS Number | 57202-76-3 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CSC |
Product Overview
LY 116467 (CAS 57202-76-3), with molecular formula C17H22N2S and molecular weight 286.15 g/mol. IUPAC: (6aR,9R)-7-methyl-9-(methylsulfanylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of LY 116467
Property Insights of LY 116467
The XLogP value of 3.4909 indicates that LY 116467 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.03 Ų, LY 116467 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LY 116467 has 1 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 LY 116467?
The CAS number of LY 116467 is 57202-76-3.
What is the molecular formula of LY 116467?
The molecular formula of LY 116467 is C17H22N2S.
What is the molecular weight of LY 116467?
The molecular weight of LY 116467 is 286.15 g/mol.
Where can I buy LY 116467?
You can request a quote for LY 116467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 116467?
Yes, KEHONG BIO provides custom synthesis services for LY 116467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.