RefChem:118734
TL;DR: RefChem:118734 (CAS 52078-66-7) is a chemical compound with molecular formula C25H29IN2O2 and molecular weight 516.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoxazole iodide
Also Known As: 5,6,5',6'-Tetramethyl-3,3'-diethyl-2,2'-oxacarbocyanine iodide, Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propenyl)-5,6-dimethyl-, iodide, Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-5,6-dimethyl-, iodide (1:1), benzoxazolium,3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3h)-benzoxazolylidene)-1-pr, 5,6-DIMETHYL-2-(3-(5,6-DIMETHYL-3-ETHYL-2-BENZOXAZOLINYLIDEN
| Molecular Formula | C25H29IN2O2 |
|---|---|
| Molecular Weight | 516.13 g/mol |
| LogP | 2.75 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.1274 |
| Heavy Atoms | 30 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 52078-66-7 |
|---|---|
| SMILES | CCN1C2=C(C=C(C(=C2)C)C)OC1=CC=CC3=[N+](C4=C(O3)C=C(C(=C4)C)C)CC.[I-] |
| InChIKey | XFGPBUWHEYUAMX-UHFFFAOYSA-M |
Product Overview
RefChem:118734 (CAS 52078-66-7), with molecular formula C25H29IN2O2 and molecular weight 516.13 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoxazole iodide.
Chemical Property Profile of RefChem:118734
Property Insights of RefChem:118734
The XLogP value of 2.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118734. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:118734 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118734 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118734?
The CAS number of RefChem:118734 is 52078-66-7.
What is the molecular formula of RefChem:118734?
The molecular formula of RefChem:118734 is C25H29IN2O2.
What is the molecular weight of RefChem:118734?
The molecular weight of RefChem:118734 is 516.13 g/mol.
Where can I buy RefChem:118734?
You can request a quote for RefChem:118734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118734?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.