RefChem:250275
TL;DR: RefChem:250275 (CAS 71042-69-8) is a chemical compound with molecular formula C21H19N3O8S2 and molecular weight 505.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]ethylidene]-1,3-benzoxazole-5-sulfonic acid
Also Known As: 2-(2-(1,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-3-ethyl-2,3-dihydro-5-benzoxazolesulfonic acid, 2-[2-[1,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]ethylidene]-3-ethyl-2,3-dihydro-5-benzoxazolesulfonic acid, 3-Ethyl-2-[2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]ethylidene]-1,3-benzoxazole-5-sulfonic acid, 5-Benzoxazolesulfonic acid, 2-[[1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]ethylidene]-3-ethyl-2,3-dihydro-, RefChem:250275
| Molecular Formula | C21H19N3O8S2 |
|---|---|
| Molecular Weight | 505.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.06137 |
| Heavy Atoms | 34 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 71042-69-8 |
|---|---|
| SMILES | CCN1C2=C(C=CC(=C2)S(=O)(=O)O)OC1=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C |
| InChIKey | MMSRNPCMCXOHKO-UHFFFAOYSA-N |
Product Overview
RefChem:250275 (CAS 71042-69-8), with molecular formula C21H19N3O8S2 and molecular weight 505.06 g/mol. IUPAC: 3-ethyl-2-[2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]ethylidene]-1,3-benzoxazole-5-sulfonic acid.
Chemical Property Profile of RefChem:250275
Property Insights of RefChem:250275
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:250275. The TPSA of 171.0 Ų indicates high polarity, suggesting RefChem:250275 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:250275 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:250275?
The CAS number of RefChem:250275 is 71042-69-8.
What is the molecular formula of RefChem:250275?
The molecular formula of RefChem:250275 is C21H19N3O8S2.
What is the molecular weight of RefChem:250275?
The molecular weight of RefChem:250275 is 505.06 g/mol.
Where can I buy RefChem:250275?
You can request a quote for RefChem:250275 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:250275?
Yes, KEHONG BIO provides custom synthesis services for RefChem:250275 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.