RefChem:118753
TL;DR: RefChem:118753 (CAS 71130-10-4) is a chemical compound with molecular formula C35H29IN2O4 and molecular weight 668.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-(5-benzoyl-3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazol-5-yl]-phenylmethanone iodide
Also Known As: 5-benzoyl-2-[3- prop-1-enyl]-3-ethylbenzoxazoliumiodide, Benzoxazolium, 5-benzoyl-2-[3-(5-benzoyl-3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl]-3-ethyl-, iodide, 5-Benzoyl-2-(3-(5-benzoyl-3-ethyl-2-benzoxazolinylidene)propenyl)-3-ethylbenzoxazolium iodide, 5-BENZOYL-2-[3-(5-BENZOYL-3-ETHYL-3H-BENZOXAZOL-2-YLIDENE)PROP-1-ENYL]-3-ETHYLBENZOXAZOLIUM IODIDE, Benzoxazolium, 5-benzoyl-2-(3-(5-benzoyl-3-ethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-3-ethyl-, iodide (1:1)
| Molecular Formula | C35H29IN2O4 |
|---|---|
| Molecular Weight | 668.12 g/mol |
| LogP | 3.98 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 668.1172 |
| Heavy Atoms | 42 |
| Complexity | 904.0 |
Chemical Identifiers
| CAS Number | 71130-10-4 |
|---|---|
| SMILES | CCN1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)OC1=CC=CC4=[N+](C5=C(O4)C=CC(=C5)C(=O)C6=CC=CC=C6)CC.[I-] |
| InChIKey | BIUQFXFBJGADRM-UHFFFAOYSA-M |
Product Overview
RefChem:118753 (CAS 71130-10-4), with molecular formula C35H29IN2O4 and molecular weight 668.12 g/mol. IUPAC: [2-[3-(5-benzoyl-3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazol-5-yl]-phenylmethanone iodide.
Chemical Property Profile of RefChem:118753
Property Insights of RefChem:118753
The XLogP value of 3.98 indicates that RefChem:118753 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118753. Following Lipinski's Rule of Five, RefChem:118753 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:118753?
The CAS number of RefChem:118753 is 71130-10-4.
What is the molecular formula of RefChem:118753?
The molecular formula of RefChem:118753 is C35H29IN2O4.
What is the molecular weight of RefChem:118753?
The molecular weight of RefChem:118753 is 668.12 g/mol.
Where can I buy RefChem:118753?
You can request a quote for RefChem:118753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.