RefChem:118723
TL;DR: RefChem:118723 (CAS 13416-17-6) is a chemical compound with molecular formula C37H37IN2O4 and molecular weight 700.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyethyl)-2-[2-[[3-(2-methoxyethyl)-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazole iodide
Also Known As: Benzoxazolium, 3-(2-methoxyethyl)-2-[2-[[3-(2-methoxyethyl)-5-phenyl-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-5-phenyl-, iodide, (2Z)-3-(2-Methoxyethyl)-2-[(2E)-2-[[3-(2-methoxyethyl)-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazole;iodide, 3-(2-methoxyethyl)-2-[2-[[3-(2-methoxyethyl)-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazole;iodide, Benzoxazolium, 3-(2-methoxyethyl)-2-(2-((3-(2-methoxyethyl)-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-5-phenyl-, iodide (1:1), Benzoxazolium, 3-(2-methoxyethyl)-2-(2-((3-(2-methoxyethyl)-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-5-phenyl-, iodide
| Molecular Formula | C37H37IN2O4 |
|---|---|
| Molecular Weight | 700.18 g/mol |
| LogP | 4.88 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 700.1798 |
| Heavy Atoms | 44 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 13416-17-6 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCOC)C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCOC.[I-] |
| InChIKey | ZJLZKBRBTKTKHW-UHFFFAOYSA-M |
Product Overview
RefChem:118723 (CAS 13416-17-6), with molecular formula C37H37IN2O4 and molecular weight 700.18 g/mol. IUPAC: 3-(2-methoxyethyl)-2-[2-[[3-(2-methoxyethyl)-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazole iodide.
Chemical Property Profile of RefChem:118723
Property Insights of RefChem:118723
The XLogP value of 4.88 indicates that RefChem:118723 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, RefChem:118723 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118723 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118723?
The CAS number of RefChem:118723 is 13416-17-6.
What is the molecular formula of RefChem:118723?
The molecular formula of RefChem:118723 is C37H37IN2O4.
What is the molecular weight of RefChem:118723?
The molecular weight of RefChem:118723 is 700.18 g/mol.
Where can I buy RefChem:118723?
You can request a quote for RefChem:118723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118723?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.