Lek 8841
TL;DR: Lek 8841 (CAS 145204-80-4) is a chemical compound with molecular formula C21H24BrN3O4S and molecular weight 493.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-5-bromo-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 8841, LEK 8841 (methanesulfonate), 2-Bromo-9,10-didehydro-N-methyl-N-(2-propynyl)-6-methylergoline-8beta-carboxamide, (6aR,9R)-5-bromo-N,7-dimethyl-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid, (6aR,9R)-5-bromo-N,7-dimethyl-N-(prop-2-yn-1-yl)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide methanesulfonate
| Molecular Formula | C21H24BrN3O4S |
|---|---|
| Molecular Weight | 493.07 g/mol |
| LogP | 2.3957 |
| Topological Polar Surface Area | 93.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 493.06708 |
| Heavy Atoms | 30 |
| Complexity | 1154.8602 |
Chemical Identifiers
| CAS Number | 145204-80-4 |
|---|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1CC3=C(NC4=CC=CC2=C34)Br)C(=O)N(C)CC#C.CS(=O)(=O)O |
Product Overview
Lek 8841 (CAS 145204-80-4), with molecular formula C21H24BrN3O4S and molecular weight 493.07 g/mol. IUPAC: (6aR,9R)-5-bromo-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 8841
Property Insights of Lek 8841
The XLogP value of 2.3957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lek 8841. The TPSA of 93.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Lek 8841. Following Lipinski's Rule of Five, Lek 8841 has 2 hydrogen bond donor(s) and 4 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 8841?
The CAS number of Lek 8841 is 145204-80-4.
What is the molecular formula of Lek 8841?
The molecular formula of Lek 8841 is C21H24BrN3O4S.
What is the molecular weight of Lek 8841?
The molecular weight of Lek 8841 is 493.07 g/mol.
Where can I buy Lek 8841?
You can request a quote for Lek 8841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lek 8841?
Yes, KEHONG BIO provides custom synthesis services for Lek 8841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.