LG 50643
TL;DR: LG 50643 (CAS 111372-42-0) is a chemical compound with molecular formula C24H34INO2 and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate iodide
Also Known As: 3-(((2-Phenyl-2-cyclohexen-1-yl)carbonyl)oxy)-8,8-diethyl-8-azoniabicyclo(3.2.1)octane iodide, (8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate;iodide, 8,8-Diethyl-3-(((2-phenyl-2-cyclohexen-1-yl)carbonyl)oxy)-8-azoniabicyclo(3.2.1)octane iodide, 8-Azoniabicyclo[3.2.1]octane,8,8-diethyl-3-[[(2-phenyl-2-cyclohexen-1-yl)carbonyl]oxy]-, iodide (1:1), (8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate iodide
| Molecular Formula | C24H34INO2 |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 1.9673 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.16342 |
| Heavy Atoms | 28 |
| Complexity | 681.8165 |
Chemical Identifiers
| CAS Number | 111372-42-0 |
|---|---|
| SMILES | CC[N+]1(C2CCC1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)CC.[I-] |
Product Overview
LG 50643 (CAS 111372-42-0), with molecular formula C24H34INO2 and molecular weight 495.16 g/mol. IUPAC: (8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate iodide.
Chemical Property Profile of LG 50643
Property Insights of LG 50643
The XLogP value of 1.9673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LG 50643. With a topological polar surface area (TPSA) of 26.3 Ų, LG 50643 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LG 50643 has 0 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 LG 50643?
The CAS number of LG 50643 is 111372-42-0.
What is the molecular formula of LG 50643?
The molecular formula of LG 50643 is C24H34INO2.
What is the molecular weight of LG 50643?
The molecular weight of LG 50643 is 495.16 g/mol.
Where can I buy LG 50643?
You can request a quote for LG 50643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LG 50643?
Yes, KEHONG BIO provides custom synthesis services for LG 50643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.