N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine
TL;DR: N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine (CAS 6952-98-3) is a chemical compound with molecular formula C17H18Cl4N2 and molecular weight 390.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
Also Known As: NCIOpen2_008525, N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine, N,N'-bis[(3,4-dichlorophenyl)methyl]propane-1,3-diamine, n1,n3-bis(3,4-dichlorobenzyl)-1,3-propanediamine, N,N'-Bis((3,4-dichlorophenyl)methyl)propane-1,3-diamine
| Molecular Formula | C17H18Cl4N2 |
|---|---|
| Molecular Weight | 390.02 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.0224 |
| Heavy Atoms | 23 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 6952-98-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CNCCCNCC2=CC(=C(C=C2)Cl)Cl)Cl)Cl |
| InChIKey | XEHSYSDCVMIGHW-UHFFFAOYSA-N |
Product Overview
N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine (CAS 6952-98-3), with molecular formula C17H18Cl4N2 and molecular weight 390.02 g/mol. IUPAC: N,N'-bis[(3,4-dichlorophenyl)methyl]propane-1,3-diamine.
Chemical Property Profile of N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine
Property Insights of N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine
The XLogP value of 5.8 indicates that N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine?
The CAS number of N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine is 6952-98-3.
What is the molecular formula of N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine?
The molecular formula of N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine is C17H18Cl4N2.
What is the molecular weight of N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine?
The molecular weight of N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine is 390.02 g/mol.
Where can I buy N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine?
You can request a quote for N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine 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(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine?
Yes, KEHONG BIO provides custom synthesis services for N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.