6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione
TL;DR: 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione (CAS 80944-67-8) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-aminoethyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
Also Known As: AEEI, ChemDiv2_000687, 6-[2-aminoethyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione, BIM-0004798.P001, 1,4-Phthalazinedione, 6-((2-aminoethyl)ethylamino)-2,3-dihydro-
| Molecular Formula | C12H16N4O2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.12732 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 80944-67-8 |
|---|---|
| SMILES | CCN(CCN)C1=CC2=C(C=C1)C(=O)NNC2=O |
| InChIKey | FDKRWZJDFCVMQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione (CAS 80944-67-8), with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol. IUPAC: 6-[2-aminoethyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione.
Chemical Property Profile of 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione
Property Insights of 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione. Following Lipinski's Rule of Five, 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione has 3 hydrogen bond donor(s) and 4 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 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione?
The CAS number of 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione is 80944-67-8.
What is the molecular formula of 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione?
The molecular formula of 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione is C12H16N4O2.
What is the molecular weight of 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione?
The molecular weight of 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione is 248.13 g/mol.
Where can I buy 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione?
You can request a quote for 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(N-(4-Aminoethyl)-N-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.