N,N-Bis(2-chloroethyl)-p-iodobenzylamine
TL;DR: N,N-Bis(2-chloroethyl)-p-iodobenzylamine (CAS 39644-00-3) is a chemical compound with molecular formula C11H14Cl2IN and molecular weight 356.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]ethanamine
Also Known As: p-Iodo-dcba, N,N-Bis -p-iodobenzylamine, N,N-Bis(2-chloroethyl)-p-iodobenzylamine, N,N-Bis(2-chloroethyl)-4-iodobenzylamine, p-Iodo-di-(2-chlroethyl)-benzylamine
| Molecular Formula | C11H14Cl2IN |
|---|---|
| Molecular Weight | 356.95 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.9548 |
| Heavy Atoms | 15 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 39644-00-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CN(CCCl)CCCl)I |
| InChIKey | XKOLLRMGDWZGPB-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-p-iodobenzylamine (CAS 39644-00-3), with molecular formula C11H14Cl2IN and molecular weight 356.95 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]ethanamine.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-p-iodobenzylamine
Property Insights of N,N-Bis(2-chloroethyl)-p-iodobenzylamine
The XLogP value of 3.6 indicates that N,N-Bis(2-chloroethyl)-p-iodobenzylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Bis(2-chloroethyl)-p-iodobenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-p-iodobenzylamine 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 N,N-Bis(2-chloroethyl)-p-iodobenzylamine?
The CAS number of N,N-Bis(2-chloroethyl)-p-iodobenzylamine is 39644-00-3.
What is the molecular formula of N,N-Bis(2-chloroethyl)-p-iodobenzylamine?
The molecular formula of N,N-Bis(2-chloroethyl)-p-iodobenzylamine is C11H14Cl2IN.
What is the molecular weight of N,N-Bis(2-chloroethyl)-p-iodobenzylamine?
The molecular weight of N,N-Bis(2-chloroethyl)-p-iodobenzylamine is 356.95 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-p-iodobenzylamine?
You can request a quote for N,N-Bis(2-chloroethyl)-p-iodobenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)-p-iodobenzylamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-p-iodobenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.