Imet 3106
TL;DR: Imet 3106 (CAS 2665-70-5) is a chemical compound with molecular formula C21H22Cl3N3 and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-2-yl)methylideneamino]aniline chloride
Also Known As: Zimet 3106, Imet 3106, Quinolinium, chloride, Quinolinium, 2-(((4-(bis(2-chloroethyl)amino)phenyl)imino)methyl)-1-methyl-, chloride, Quinolinium, 2-(N-(p-(bis(2-chloroethyl)amino)phenyl)formimidoyl)-1-methyl-, chloride
| Molecular Formula | C21H22Cl3N3 |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 1.7029 |
| Topological Polar Surface Area | 19.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.08792 |
| Heavy Atoms | 27 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 2665-70-5 |
|---|---|
| SMILES | C[N+]1=C(C=CC2=CC=CC=C21)C=NC3=CC=C(C=C3)N(CCCl)CCCl.[Cl-] |
| InChIKey | JRBMUKZRLWOGBG-UHFFFAOYSA-M |
Product Overview
Imet 3106 (CAS 2665-70-5), with molecular formula C21H22Cl3N3 and molecular weight 421.09 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-2-yl)methylideneamino]aniline chloride.
Chemical Property Profile of Imet 3106
Property Insights of Imet 3106
The XLogP value of 1.7029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imet 3106. With a topological polar surface area (TPSA) of 19.5 Ų, Imet 3106 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imet 3106 has 0 hydrogen bond donor(s) and 3 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 Imet 3106?
The CAS number of Imet 3106 is 2665-70-5.
What is the molecular formula of Imet 3106?
The molecular formula of Imet 3106 is C21H22Cl3N3.
What is the molecular weight of Imet 3106?
The molecular weight of Imet 3106 is 421.09 g/mol.
Where can I buy Imet 3106?
You can request a quote for Imet 3106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imet 3106?
Yes, KEHONG BIO provides custom synthesis services for Imet 3106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.