5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium
TL;DR: 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium (CAS 63148-89-0) is a chemical compound with molecular formula C16H20ClNO5S and molecular weight 373.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-2-(2-ethoxybut-1-enyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: 5-chloro-2-3- benzoxazolium, 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium, Benzoxazolium, 5-chloro-2-(2-ethoxy-1-butenyl)-3-(3-sulfopropyl)-, inner salt, Benzoxazolium, 5-chloro-2-(2-ethoxy-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, Benzoxazolium, 5-chloro-2-(2-ethoxy-1-butenyl)-3-(3-sulfopropyl)-, hydroxide, inner salt
| Molecular Formula | C16H20ClNO5S |
|---|---|
| Molecular Weight | 373.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.07507 |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 63148-89-0 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])OCC |
| InChIKey | VWMFWTUKPDOUCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium (CAS 63148-89-0), with molecular formula C16H20ClNO5S and molecular weight 373.08 g/mol. IUPAC: 3-[5-chloro-2-(2-ethoxybut-1-enyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium
Property Insights of 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium
The XLogP value of 3.2 indicates that 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium. Following Lipinski's Rule of Five, 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium has 0 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 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium?
The CAS number of 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium is 63148-89-0.
What is the molecular formula of 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium?
The molecular formula of 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium is C16H20ClNO5S.
What is the molecular weight of 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium?
The molecular weight of 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium is 373.08 g/mol.
Where can I buy 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium?
You can request a quote for 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.