1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine
TL;DR: 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine (CAS 127381-59-3) is a chemical compound with molecular formula C25H32N4O2 and molecular weight 420.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(3-aminophenyl)methyl-[2-[(2-hydroxyphenyl)methylamino]ethyl]amino]ethylamino]methyl]phenol
Also Known As: Bhabdt, 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine, 2-[[2-[(3-aminophenyl)methyl-[2-[(2-hydroxyphenyl)methylamino]ethyl]amino]ethylamino]methyl]phenol, 2,2'-((((4-Aminophenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bisphenol, Phenol, 2,2'-((((4-aminophenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bis-
| Molecular Formula | C25H32N4O2 |
|---|---|
| Molecular Weight | 420.25 g/mol |
| LogP | 3.0616 |
| Topological Polar Surface Area | 93.78 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 420.25253 |
| Heavy Atoms | 31 |
| Complexity | 894.56494 |
Chemical Identifiers
| CAS Number | 127381-59-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNCCN(CCNCC2=CC=CC=C2O)CC3=CC(=CC=C3)N)O |
Product Overview
1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine (CAS 127381-59-3), with molecular formula C25H32N4O2 and molecular weight 420.25 g/mol. IUPAC: 2-[[2-[(3-aminophenyl)methyl-[2-[(2-hydroxyphenyl)methylamino]ethyl]amino]ethylamino]methyl]phenol.
Chemical Property Profile of 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine
Property Insights of 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine
The XLogP value of 3.0616 indicates that 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine. Following Lipinski's Rule of Five, 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine has 5 hydrogen bond donor(s) and 6 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 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine?
The CAS number of 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine is 127381-59-3.
What is the molecular formula of 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine?
The molecular formula of 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine is C25H32N4O2.
What is the molecular weight of 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine?
The molecular weight of 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine is 420.25 g/mol.
Where can I buy 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine?
You can request a quote for 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Bis(2-hydroxybenzyl)-4-(4-aminobenzyl)diethylenetriamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.