RefChem:228753
TL;DR: RefChem:228753 (CAS 41549-91-1) is a chemical compound with molecular formula C39H60I2N2O5 and molecular weight 890.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl-[3-[7-[3-[dibutyl(methyl)azaniumyl]propoxycarbonyl]-9-oxofluorene-2-carbonyl]oxypropyl]-methylazanium diiodide
Also Known As: Bis(3-dibutylaminopropyl)-9-oxofluorene-2,7-dicarboxylate dimethiodide hydrate, 1-Butanaminium, N,N'-((9-oxo-9H-fluorene-2,7-diyl)bis(carbonyloxy-3,1-propanediyl))bis(N-butyl-N-methyl-, diiodide, hydrate, dibutyl-[3-[7-[3-[dibutyl(methyl)azaniumyl]propoxycarbonyl]-9-oxofluorene-2-carbonyl]oxypropyl]-methylazanium diiodide, N,N'-[(9-oxo-9H-fluorene-2,7-diyl)bis(carbonyloxypropane-3,1-diyl)]bis(N-butyl-N-methylbutan-1-aminium) diiodide, RefChem:228753
| Molecular Formula | C39H60I2N2O5 |
|---|---|
| Molecular Weight | 890.26 g/mol |
| LogP | 2.09 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 24 |
| Exact Mass | 890.25916 |
| Heavy Atoms | 48 |
| Complexity | 849.0 |
Chemical Identifiers
| CAS Number | 41549-91-1 |
|---|---|
| SMILES | CCCC[N+](C)(CCCC)CCCOC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)OCCC[N+](C)(CCCC)CCCC.[I-].[I-] |
| InChIKey | BRLJZRCAHBULJP-UHFFFAOYSA-L |
Product Overview
RefChem:228753 (CAS 41549-91-1), with molecular formula C39H60I2N2O5 and molecular weight 890.26 g/mol. IUPAC: dibutyl-[3-[7-[3-[dibutyl(methyl)azaniumyl]propoxycarbonyl]-9-oxofluorene-2-carbonyl]oxypropyl]-methylazanium diiodide.
Chemical Property Profile of RefChem:228753
Property Insights of RefChem:228753
The XLogP value of 2.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:228753. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228753. Following Lipinski's Rule of Five, RefChem:228753 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228753?
The CAS number of RefChem:228753 is 41549-91-1.
What is the molecular formula of RefChem:228753?
The molecular formula of RefChem:228753 is C39H60I2N2O5.
What is the molecular weight of RefChem:228753?
The molecular weight of RefChem:228753 is 890.26 g/mol.
Where can I buy RefChem:228753?
You can request a quote for RefChem:228753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.