![Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1) structure](/static/products/6346/63467-92-5.webp)
Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1)
TL;DR: Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1) (CAS 63467-92-5) is a chemical compound with molecular formula C19H19IN2O and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)buta-1,3-dienyl]aniline iodide
Also Known As: 3-Ethyl-2-(4-(phenylamino)buta-1,3-dienyl)benzoxazolium iodide, 3-ethyl-2-[4- buta-1,3-dienyl]benzoxazoliumiodide, Benzoxazolium, 3-ethyl-2-(4-(phenylamino)-1,3-butadienyl)-, iodide, 3-ethyl-2-[4-(phenylamino)buta-1,3-dienyl]benzoxazolium iodide, Benzoxazolium, 3-ethyl-2-(4-(phenylamino)-1,3-butadien-1-yl)-, iodide (1:1)
| Molecular Formula | C19H19IN2O |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0542 |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 63467-92-5 |
|---|---|
| SMILES | CC[N+]1=C(OC2=CC=CC=C21)C=CC=CNC3=CC=CC=C3.[I-] |
| InChIKey | RQFWLOHMZWLHAQ-UHFFFAOYSA-N |
Product Overview
Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1) (CAS 63467-92-5), with molecular formula C19H19IN2O and molecular weight 418.05 g/mol. IUPAC: N-[4-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)buta-1,3-dienyl]aniline iodide.
Chemical Property Profile of Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1)
Property Insights of Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1)
The XLogP value of 1.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1). With a topological polar surface area (TPSA) of 29.1 Ų, Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1)?
The CAS number of Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1) is 63467-92-5.
What is the molecular formula of Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1)?
The molecular formula of Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1) is C19H19IN2O.
What is the molecular weight of Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1)?
The molecular weight of Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1) is 418.05 g/mol.
Where can I buy Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1)?
You can request a quote for Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadien-1-yl]-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.