triisoamyl-n-butylammonium iodide
TL;DR: triisoamyl-n-butylammonium iodide (CAS 5709-92-2) is a chemical compound with molecular formula C24H21Cl2NO3 and molecular weight 441.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: triisoamyl-n-butylammonium iodide, methyl 4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahyd roquinoline-3-carboxylate
| Molecular Formula | C24H21Cl2NO3 |
|---|---|
| Molecular Weight | 441.09 g/mol |
| LogP | 5.528 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.08984 |
| Heavy Atoms | 30 |
| Complexity | 1085.8848 |
Chemical Identifiers
| CAS Number | 5709-92-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl)C(=O)OC |
Product Overview
triisoamyl-n-butylammonium iodide (CAS 5709-92-2), with molecular formula C24H21Cl2NO3 and molecular weight 441.09 g/mol. IUPAC: methyl 4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of triisoamyl-n-butylammonium iodide
Property Insights of triisoamyl-n-butylammonium iodide
The XLogP value of 5.528 indicates that triisoamyl-n-butylammonium iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, triisoamyl-n-butylammonium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, triisoamyl-n-butylammonium iodide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of triisoamyl-n-butylammonium iodide?
The CAS number of triisoamyl-n-butylammonium iodide is 5709-92-2.
What is the molecular formula of triisoamyl-n-butylammonium iodide?
The molecular formula of triisoamyl-n-butylammonium iodide is C24H21Cl2NO3.
What is the molecular weight of triisoamyl-n-butylammonium iodide?
The molecular weight of triisoamyl-n-butylammonium iodide is 441.09 g/mol.
Where can I buy triisoamyl-n-butylammonium iodide?
You can request a quote for triisoamyl-n-butylammonium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for triisoamyl-n-butylammonium iodide?
Yes, KEHONG BIO provides custom synthesis services for triisoamyl-n-butylammonium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.