Iem 452
TL;DR: Iem 452 (CAS 5561-89-7) is a chemical compound with molecular formula C22H30ClNO4 and molecular weight 407.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,2-bis(4-methoxyphenyl)acetyl]oxyethyl-diethylazanium chloride
Also Known As: IEM 452, Bis(p-methoxyphenyl)acetic acid 2-(diethylamino)ethyl ester hydrochloride, 2-[2,2-bis(4-methoxyphenyl)acetyl]oxyethyl-diethylazanium chloride, ACETIC ACID, BIS(p-METHOXYPHENYL)-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
| Molecular Formula | C22H30ClNO4 |
|---|---|
| Molecular Weight | 407.19 g/mol |
| LogP | -0.69 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 407.18634 |
| Heavy Atoms | 28 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 5561-89-7 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC.[Cl-] |
| InChIKey | UGGLVRAINGSVBP-UHFFFAOYSA-N |
Product Overview
Iem 452 (CAS 5561-89-7), with molecular formula C22H30ClNO4 and molecular weight 407.19 g/mol. IUPAC: 2-[2,2-bis(4-methoxyphenyl)acetyl]oxyethyl-diethylazanium chloride.
Chemical Property Profile of Iem 452
Property Insights of Iem 452
The XLogP value of -0.69 indicates that Iem 452 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.2 Ų, Iem 452 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iem 452 has 1 hydrogen bond donor(s) and 5 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 Iem 452?
The CAS number of Iem 452 is 5561-89-7.
What is the molecular formula of Iem 452?
The molecular formula of Iem 452 is C22H30ClNO4.
What is the molecular weight of Iem 452?
The molecular weight of Iem 452 is 407.19 g/mol.
Where can I buy Iem 452?
You can request a quote for Iem 452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iem 452?
Yes, KEHONG BIO provides custom synthesis services for Iem 452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.