Lek 8829
TL;DR: Lek 8829 (CAS 17226-41-4) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N,7-dimethyl-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
Also Known As: Lek 8829, KST-1A1988, LEK 8842, (8, A)-n,6-dimethyl-n-(prop-2-yn-1-yl)-9,10-didehydroergoline-8-carboxamide methanesulfonate(1:1)
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 1.6332 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 17226-41-4 |
|---|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(C)CC#C.CS(=O)(=O)O |
| InChIKey | MZNFBRQGHUXNJH-KEZWHQCISA-N |
Product Overview
Lek 8829 (CAS 17226-41-4), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: (6aR,9R)-N,7-dimethyl-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid.
Chemical Property Profile of Lek 8829
Property Insights of Lek 8829
The XLogP value of 1.6332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lek 8829. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lek 8829. Following Lipinski's Rule of Five, Lek 8829 has 2 hydrogen bond donor(s) and 5 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 Lek 8829?
The CAS number of Lek 8829 is 17226-41-4.
What is the molecular formula of Lek 8829?
The molecular formula of Lek 8829 is C21H25N3O4S.
What is the molecular weight of Lek 8829?
The molecular weight of Lek 8829 is 415.16 g/mol.
Where can I buy Lek 8829?
You can request a quote for Lek 8829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lek 8829?
Yes, KEHONG BIO provides custom synthesis services for Lek 8829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.