N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine
TL;DR: N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine (CAS 108896-77-1) is a chemical compound with molecular formula C16H18Cl2N2 and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis[(3-chlorophenyl)methyl]ethane-1,2-diamine
Also Known As: Bionet1_001769, N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine, N,N'-bis[(3-chlorophenyl)methyl]ethane-1,2-diamine, N1,N2-Bis(3-chlorobenzyl)-1,2-ethanediamine, [(3-chlorophenyl)methyl](2-{[(3-chlorophenyl)methyl]amino}ethyl)amine
| Molecular Formula | C16H18Cl2N2 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 3.8728 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.08472 |
| Heavy Atoms | 20 |
| Complexity | 494.005 |
Chemical Identifiers
| CAS Number | 108896-77-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNCCNCC2=CC(=CC=C2)Cl |
Product Overview
N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine (CAS 108896-77-1), with molecular formula C16H18Cl2N2 and molecular weight 308.08 g/mol. IUPAC: N,N'-bis[(3-chlorophenyl)methyl]ethane-1,2-diamine.
Chemical Property Profile of N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine
Property Insights of N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine
The XLogP value of 3.8728 indicates that N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine has 2 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 N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine?
The CAS number of N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine is 108896-77-1.
What is the molecular formula of N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine?
The molecular formula of N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine is C16H18Cl2N2.
What is the molecular weight of N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine?
The molecular weight of N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine is 308.08 g/mol.
Where can I buy N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine?
You can request a quote for N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.