RefChem:319233
TL;DR: RefChem:319233 (CAS 19799-21-4) is a chemical compound with molecular formula C28H40I2N2O6S and molecular weight 786.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]-3,4-bis(furan-2-yl)thiophene-2-carbonyl]oxyethyl-diethyl-methylazanium diiodide
Also Known As: Diethyl(2-hydroxyethyl)methylammonium iodide 3,4-di-2-furyl-2,5-thiophenedicarboxylate (2:1), Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,4-di-2-furyl-2,5-thiophenedicarboxylate(2:1), 2-[5-[2-[Diethyl(methyl)azaniumyl]ethoxycarbonyl]-3,4-bis(furan-2-yl)thiophene-2-carbonyl]oxyethyl-diethyl-methylazaniumdiiodide, AMMONIUM, DIETHYL(2-HYDROXYETHYL)METHYL-, IODIDE, 3,4-DI-2-FURYL-2,5-THIOPHENEDI, 2-[5-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]-3,4-bis(furan-2-yl)thiophene-2-carbonyl]oxyethyl-diethyl-methylazanium diiodide
| Molecular Formula | C28H40I2N2O6S |
|---|---|
| Molecular Weight | 786.07 g/mol |
| LogP | -0.44 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 786.06964 |
| Heavy Atoms | 39 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 19799-21-4 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C1=C(C(=C(S1)C(=O)OCC[N+](C)(CC)CC)C2=CC=CO2)C3=CC=CO3.[I-].[I-] |
| InChIKey | ABDWMGHCVNXRIL-UHFFFAOYSA-L |
Product Overview
RefChem:319233 (CAS 19799-21-4), with molecular formula C28H40I2N2O6S and molecular weight 786.07 g/mol. IUPAC: 2-[5-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]-3,4-bis(furan-2-yl)thiophene-2-carbonyl]oxyethyl-diethyl-methylazanium diiodide.
Chemical Property Profile of RefChem:319233
Property Insights of RefChem:319233
The XLogP value of -0.44 indicates that RefChem:319233 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319233. Following Lipinski's Rule of Five, RefChem:319233 has 0 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 RefChem:319233?
The CAS number of RefChem:319233 is 19799-21-4.
What is the molecular formula of RefChem:319233?
The molecular formula of RefChem:319233 is C28H40I2N2O6S.
What is the molecular weight of RefChem:319233?
The molecular weight of RefChem:319233 is 786.07 g/mol.
Where can I buy RefChem:319233?
You can request a quote for RefChem:319233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319233?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.