Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide
TL;DR: Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide (CAS 7250-44-4) is a chemical compound with molecular formula C9H16I3NO4 and molecular weight 582.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(2-iodoacetyl)oxyethyl]-methylazanium iodide
Also Known As: S 41, ACETIC ACID, IODO-, DIESTER with METHYLDIETHANOLAMINE, HYDROIODIDE, N,N-Bis(2-(iodoacetoxy)ethyl)-N-methylamine hydriodide, N,N-Bis(2-(iodoacetoxy)ethyl)-N-methylamine hydroiodide, bis[2-(2-iodoacetyl)oxyethyl]-methylazanium iodide
| Molecular Formula | C9H16I3NO4 |
|---|---|
| Molecular Weight | 582.82 g/mol |
| LogP | -3.54 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 582.8214 |
| Heavy Atoms | 17 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 7250-44-4 |
|---|---|
| SMILES | C[NH+](CCOC(=O)CI)CCOC(=O)CI.[I-] |
| InChIKey | SOXSPSQSLPDPTN-UHFFFAOYSA-N |
Product Overview
Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide (CAS 7250-44-4), with molecular formula C9H16I3NO4 and molecular weight 582.82 g/mol. IUPAC: bis[2-(2-iodoacetyl)oxyethyl]-methylazanium iodide.
Chemical Property Profile of Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide
Property Insights of Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide
The XLogP value of -3.54 indicates that Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.0 Ų, Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide?
The CAS number of Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide is 7250-44-4.
What is the molecular formula of Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide?
The molecular formula of Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide is C9H16I3NO4.
What is the molecular weight of Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide?
The molecular weight of Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide is 582.82 g/mol.
Where can I buy Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide?
You can request a quote for Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, iodo-, diester with methyldiethanolamine, hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.