![3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium structure](/static/products/6314/63149-00-8.webp)
3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium
TL;DR: 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium (CAS 63149-00-8) is a chemical compound with molecular formula C19H18N2O4S and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-anilinobuta-1,3-dienyl)-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate
Also Known As: 3-ethyl-2-[4- buta-1,3-dienyl]-5-sulphonatobenzoxazolium, 3-ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium, Benzoxazolium, 3-ethyl-2-[4-(phenylamino)-1,3-butadienyl]-5-sulfo-, inner salt, Benzoxazolium, 3-ethyl-2-(4-(phenylamino)-1,3-butadien-1-yl)-5-sulfo-, inner salt, Benzoxazolium, 3-ethyl-2-(4-(phenylamino)-1,3-butadienyl)-5-sulfo-,inner salt
| Molecular Formula | C19H18N2O4S |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.09872 |
| Heavy Atoms | 26 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 63149-00-8 |
|---|---|
| SMILES | CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])C=CC=CNC3=CC=CC=C3 |
| InChIKey | WMZXODXRKNUELQ-UHFFFAOYSA-N |
Product Overview
3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium (CAS 63149-00-8), with molecular formula C19H18N2O4S and molecular weight 370.10 g/mol. IUPAC: 2-(4-anilinobuta-1,3-dienyl)-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate.
Chemical Property Profile of 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium
Property Insights of 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium
The XLogP value of 3.5 indicates that 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium. Following Lipinski's Rule of Five, 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium has 1 hydrogen bond donor(s) and 5 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 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium?
The CAS number of 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium is 63149-00-8.
What is the molecular formula of 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium?
The molecular formula of 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium is C19H18N2O4S.
What is the molecular weight of 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium?
The molecular weight of 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium is 370.10 g/mol.
Where can I buy 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium?
You can request a quote for 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.