RefChem:189302
TL;DR: RefChem:189302 (CAS 63815-89-4) is a chemical compound with molecular formula C25H26N2O8S3 and molecular weight 578.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(3-benzyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-ethylsulfanyl-4-oxo-1,3-thiazol-3-ium-3-yl]acetic acid;ethyl sulfate
Also Known As: Thiazolium, 3-(carboxymethyl)-2-(ethylthio)-4,5-dihydro-4-oxo-5-((3-(phenylmethyl)-2(3H)-benzoxazolylidene)ethylidene)-, ethyl sulfate, 5-[2-(3-benzyl-1,3-benzoxazol-2(3h)-ylidene)ethylidene]-3-(carboxymethyl)-2-(ethylsulfanyl)-4-oxo-4,5-dihydro-1,3-thiazol-3-ium ethyl sulfate, Thiazolium, 3-(carboxymethyl)-2-(ethylthio)-4,5-dihydro-4-oxo-5-(2-(3-(phenylmethyl)-2(3H)-benzoxazolylidene)ethylidene)-, ethyl sulfate (1:1), Thiazolium, 3-(carboxymethyl)-2-(ethylthio)-4,5-dihydro-4-oxo-5-[2-[3-(phenylmethyl)-2(3H)-benzoxazolylidene]ethylidene]-, ethyl sulfate (1:1), 2-[5-[2-(3-benzyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-ethylsulfanyl-4-oxo-1,3-thiazol-3-ium-3-yl]acetic acid; ethyl sulfate
| Molecular Formula | C25H26N2O8S3 |
|---|---|
| Molecular Weight | 578.09 g/mol |
| LogP | 3.77 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 578.08514 |
| Heavy Atoms | 38 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 63815-89-4 |
|---|---|
| SMILES | CCOS(=O)(=O)[O-].CCSC1=[N+](C(=O)C(=CC=C2N(C3=CC=CC=C3O2)CC4=CC=CC=C4)S1)CC(=O)O |
| InChIKey | VAOGCJJGKNIZHB-UHFFFAOYSA-N |
Product Overview
RefChem:189302 (CAS 63815-89-4), with molecular formula C25H26N2O8S3 and molecular weight 578.09 g/mol. IUPAC: 2-[5-[2-(3-benzyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-ethylsulfanyl-4-oxo-1,3-thiazol-3-ium-3-yl]acetic acid;ethyl sulfate.
Chemical Property Profile of RefChem:189302
Property Insights of RefChem:189302
The XLogP value of 3.77 indicates that RefChem:189302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting RefChem:189302 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:189302 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:189302?
The CAS number of RefChem:189302 is 63815-89-4.
What is the molecular formula of RefChem:189302?
The molecular formula of RefChem:189302 is C25H26N2O8S3.
What is the molecular weight of RefChem:189302?
The molecular weight of RefChem:189302 is 578.09 g/mol.
Where can I buy RefChem:189302?
You can request a quote for RefChem:189302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:189302?
Yes, KEHONG BIO provides custom synthesis services for RefChem:189302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.