4-(Bis(2-chloroethyl)amino)-1-methylpyridinium
TL;DR: 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium (CAS 701192-56-5) is a chemical compound with molecular formula C10H15Cl2N2+ and molecular weight 233.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-1-methylpyridin-1-ium-4-amine
Also Known As: 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium, Pyridinium, 4-[bis(2-chloroethyl)amino]-1-methyl-, N,N-bis(2-chloroethyl)-1-methylpyridin-1-ium-4-amine
| Molecular Formula | C10H15Cl2N2+ |
|---|---|
| Molecular Weight | 233.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.06123 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 701192-56-5 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | QUMQRGCVXREYTK-UHFFFAOYSA-N |
Product Overview
4-(Bis(2-chloroethyl)amino)-1-methylpyridinium (CAS 701192-56-5), with molecular formula C10H15Cl2N2+ and molecular weight 233.06 g/mol. IUPAC: N,N-bis(2-chloroethyl)-1-methylpyridin-1-ium-4-amine.
Chemical Property Profile of 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium
Property Insights of 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium. With a topological polar surface area (TPSA) of 7.1 Ų, 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium has 0 hydrogen bond donor(s) and 1 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 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium?
The CAS number of 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium is 701192-56-5.
What is the molecular formula of 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium?
The molecular formula of 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium is C10H15Cl2N2+.
What is the molecular weight of 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium?
The molecular weight of 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium is 233.06 g/mol.
Where can I buy 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium?
You can request a quote for 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bis(2-chloroethyl)amino)-1-methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.