N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine
TL;DR: N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine (CAS 68134-82-7) is a chemical compound with molecular formula C16H23Cl3N2O and molecular weight 364.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[bis(2-chloroethyl)amino]propyl-(2-chloroethyl)amino]benzaldehyde
Also Known As: Cl(3)R, N,N,N'-Tfp, n,n,n'-tri -n'-1,3-propylenediamine, N,N,N'-Tri -N'- -1,3-propylenediamine, N,N,N'-Tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine
| Molecular Formula | C16H23Cl3N2O |
|---|---|
| Molecular Weight | 364.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 364.0876 |
| Heavy Atoms | 22 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 68134-82-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)N(CCCN(CCCl)CCCl)CCCl |
| InChIKey | DHYSDJTVLQLIDM-UHFFFAOYSA-N |
Product Overview
N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine (CAS 68134-82-7), with molecular formula C16H23Cl3N2O and molecular weight 364.09 g/mol. IUPAC: 4-[3-[bis(2-chloroethyl)amino]propyl-(2-chloroethyl)amino]benzaldehyde.
Chemical Property Profile of N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine
Property Insights of N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine
The XLogP value of 3.7 indicates that N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine 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 N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine?
The CAS number of N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine is 68134-82-7.
What is the molecular formula of N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine?
The molecular formula of N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine is C16H23Cl3N2O.
What is the molecular weight of N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine?
The molecular weight of N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine is 364.09 g/mol.
Where can I buy N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine?
You can request a quote for N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine?
Yes, KEHONG BIO provides custom synthesis services for N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.