1-(4-aminobenzyl)-4-methyl-DTPA
TL;DR: 1-(4-aminobenzyl)-4-methyl-DTPA (CAS 132979-67-0) is a chemical compound with molecular formula C22H36Cl4N4O10 and molecular weight 656.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[(2S)-2-[bis(carboxymethyl)amino]propyl]amino]acetic acid;tetrahydrochloride
Also Known As: 1-Abm-dtpa, 1-(4-Aminobenzyl)-4-methyl-dtpa, 1-(p-Aminobenzyl)-4-methyl-dtpa, 2-[[(2R)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[(2S)-2-[bis(carboxymethyl)amino]propyl]amino]acetic acid tetrahydrochloride, 2-[[(2R)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[(2S)-2-[bis(carboxymethyl)amino]propyl]amino]acetic acid,tetrahydrochloride
| Molecular Formula | C22H36Cl4N4O10 |
|---|---|
| Molecular Weight | 656.12 g/mol |
| LogP | 0.5846 |
| Topological Polar Surface Area | 222.24 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 656.1185 |
| Heavy Atoms | 40 |
| Complexity | 910.66864 |
Chemical Identifiers
| CAS Number | 132979-67-0 |
|---|---|
| SMILES | C[C@@H](CN(C[C@@H](CC1=CC=C(C=C1)N)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.Cl.Cl.Cl.Cl |
Product Overview
1-(4-aminobenzyl)-4-methyl-DTPA (CAS 132979-67-0), with molecular formula C22H36Cl4N4O10 and molecular weight 656.12 g/mol. IUPAC: 2-[[(2R)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[(2S)-2-[bis(carboxymethyl)amino]propyl]amino]acetic acid;tetrahydrochloride.
Chemical Property Profile of 1-(4-aminobenzyl)-4-methyl-DTPA
Property Insights of 1-(4-aminobenzyl)-4-methyl-DTPA
The XLogP value of 0.5846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-aminobenzyl)-4-methyl-DTPA. The TPSA of 222.24 Ų indicates high polarity, suggesting 1-(4-aminobenzyl)-4-methyl-DTPA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-aminobenzyl)-4-methyl-DTPA has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-aminobenzyl)-4-methyl-DTPA?
The CAS number of 1-(4-aminobenzyl)-4-methyl-DTPA is 132979-67-0.
What is the molecular formula of 1-(4-aminobenzyl)-4-methyl-DTPA?
The molecular formula of 1-(4-aminobenzyl)-4-methyl-DTPA is C22H36Cl4N4O10.
What is the molecular weight of 1-(4-aminobenzyl)-4-methyl-DTPA?
The molecular weight of 1-(4-aminobenzyl)-4-methyl-DTPA is 656.12 g/mol.
Where can I buy 1-(4-aminobenzyl)-4-methyl-DTPA?
You can request a quote for 1-(4-aminobenzyl)-4-methyl-DTPA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-aminobenzyl)-4-methyl-DTPA?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-aminobenzyl)-4-methyl-DTPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.