IEM 440
TL;DR: IEM 440 (CAS 130045-74-8) is a chemical compound with molecular formula C25H32ClN5O5 and molecular weight 517.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-1-(3-methyl-2H-1,4-benzodioxin-3-yl)ethanol;hydrochloride
Also Known As: IEM 440, 1-Piperazineethanol, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-alpha-(2,3-dihydro-2-methyl-1,4-benzodioxin-2-yl)-, hydrochloride, 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-1-(3-methyl-2H-1,4-benzodioxin-3-yl)ethanol;hydrochloride, 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-1-(3-methyl-2H-1,4-benzodioxin-3-yl)ethanol hydrochloride, 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-1-(3-methyl-2H-1,4-benzodioxin-3-yl)ethanol,hydrochloride
| Molecular Formula | C25H32ClN5O5 |
|---|---|
| Molecular Weight | 517.21 g/mol |
| LogP | 2.364 |
| Topological Polar Surface Area | 115.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.20917 |
| Heavy Atoms | 36 |
| Complexity | 1222.9093 |
Chemical Identifiers
| CAS Number | 130045-74-8 |
|---|---|
| SMILES | CC1(COC2=CC=CC=C2O1)C(CN3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC)O.Cl |
Product Overview
IEM 440 (CAS 130045-74-8), with molecular formula C25H32ClN5O5 and molecular weight 517.21 g/mol. IUPAC: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-1-(3-methyl-2H-1,4-benzodioxin-3-yl)ethanol;hydrochloride.
Chemical Property Profile of IEM 440
Property Insights of IEM 440
The XLogP value of 2.364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IEM 440. The TPSA of 115.43 Ų falls within the moderate polarity range, balancing permeability and solubility for IEM 440. Following Lipinski's Rule of Five, IEM 440 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IEM 440?
The CAS number of IEM 440 is 130045-74-8.
What is the molecular formula of IEM 440?
The molecular formula of IEM 440 is C25H32ClN5O5.
What is the molecular weight of IEM 440?
The molecular weight of IEM 440 is 517.21 g/mol.
Where can I buy IEM 440?
You can request a quote for IEM 440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IEM 440?
Yes, KEHONG BIO provides custom synthesis services for IEM 440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.