C22H19N3O4S
TL;DR: C22H19N3O4S (CAS 13350-41-9) is a chemical compound with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid
Also Known As: 3-IODO-5-NITROANILINE 98, 1-Imidazolidineacetic acid, 5-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-3-phenyl-2-thioxo-, 2-[5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid, 1-Carboxymethyl-5-((3-ethyl-2-benzoxazolylidene)ethylidene)-3-phenyl-2-thiohydantoin, 1-Imidazolidineacetic acid, 5-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-3-phenyl-2-thioxo-
| Molecular Formula | C22H19N3O4S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.10962 |
| Heavy Atoms | 30 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 13350-41-9 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2OC1=CC=C3C(=O)N(C(=S)N3CC(=O)O)C4=CC=CC=C4 |
| InChIKey | MTTSAJTTXKHHJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C22H19N3O4S (CAS 13350-41-9), with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol. IUPAC: 2-[5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid.
Chemical Property Profile of C22H19N3O4S
Property Insights of C22H19N3O4S
The XLogP value of 3.9 indicates that C22H19N3O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H19N3O4S. Following Lipinski's Rule of Five, C22H19N3O4S has 1 hydrogen bond donor(s) and 6 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 C22H19N3O4S?
The CAS number of C22H19N3O4S is 13350-41-9.
What is the molecular formula of C22H19N3O4S?
The molecular formula of C22H19N3O4S is C22H19N3O4S.
What is the molecular weight of C22H19N3O4S?
The molecular weight of C22H19N3O4S is 421.11 g/mol.
Where can I buy C22H19N3O4S?
You can request a quote for C22H19N3O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H19N3O4S?
Yes, KEHONG BIO provides custom synthesis services for C22H19N3O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.