RefChem:287795
TL;DR: RefChem:287795 (CAS 27583-41-1) is a chemical compound with molecular formula C21H19N3O5S and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-[4-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 4-[4-[2-(3-Ethyl-2(3H)-benzoxazolylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid, Benzenesulfonic acid, 4-(4-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, p-[4-[2-(3-ethyl-2-benzoxazolinylidene)ethylidene]-3-methyl-5-oxo-2-pyrazolin-1-yl]-, P-[4-[(3-ETHYL-3H-BENZOXAZOL-2-YLIDENE)ETHYLIDENE]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID
| Molecular Formula | C21H19N3O5S |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.10455 |
| Heavy Atoms | 30 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 27583-41-1 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2OC1=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C |
| InChIKey | ZHDYUNFDUDYQNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:287795 (CAS 27583-41-1), with molecular formula C21H19N3O5S and molecular weight 425.10 g/mol. IUPAC: 4-[4-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of RefChem:287795
Property Insights of RefChem:287795
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:287795. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:287795. Following Lipinski's Rule of Five, RefChem:287795 has 1 hydrogen bond donor(s) and 7 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 RefChem:287795?
The CAS number of RefChem:287795 is 27583-41-1.
What is the molecular formula of RefChem:287795?
The molecular formula of RefChem:287795 is C21H19N3O5S.
What is the molecular weight of RefChem:287795?
The molecular weight of RefChem:287795 is 425.10 g/mol.
Where can I buy RefChem:287795?
You can request a quote for RefChem:287795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:287795?
Yes, KEHONG BIO provides custom synthesis services for RefChem:287795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.