RefChem:117803
TL;DR: RefChem:117803 (CAS 70815-09-7) is a chemical compound with molecular formula C17H12Cl2N4Na2O7S2 and molecular weight 563.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2,5-dichloro-4-[3-methyl-4-[(2-methyl-4-sulfonatophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Also Known As: 2H-PYRROLO[3,2-F]BENZOXAZOLE, Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-4-((2-methyl-4-sulfophenyl)azo)-5-oxo-1H-pyrazol-1-yl)-, disodium salt, Benzenesulfonic acid, 2,5-dichloro-4-(3-methyl-4-((2-methyl-4-sulfophenyl)azo)-5-oxo-2-pyrazolin-1-yl)-, disodium salt, Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-4-(2-(2-methyl-4-sulfophenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2), Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-4-[(2-methyl-4-sulfophenyl)azo]-5-oxo-1H-pyrazol-1-yl]-, disodium salt
| Molecular Formula | C17H12Cl2N4Na2O7S2 |
|---|---|
| Molecular Weight | 563.93 g/mol |
| LogP | -3.00698 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 563.932 |
| Heavy Atoms | 34 |
| Complexity | 982.0 |
Chemical Identifiers
| CAS Number | 70815-09-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl)C.[Na+].[Na+] |
| InChIKey | ORTVHVYZJDCSHF-UHFFFAOYSA-L |
Product Overview
RefChem:117803 (CAS 70815-09-7), with molecular formula C17H12Cl2N4Na2O7S2 and molecular weight 563.93 g/mol. IUPAC: disodium;2,5-dichloro-4-[3-methyl-4-[(2-methyl-4-sulfonatophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of RefChem:117803
Property Insights of RefChem:117803
The XLogP value of -3.00698 indicates that RefChem:117803 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting RefChem:117803 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117803 has 0 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:117803?
The CAS number of RefChem:117803 is 70815-09-7.
What is the molecular formula of RefChem:117803?
The molecular formula of RefChem:117803 is C17H12Cl2N4Na2O7S2.
What is the molecular weight of RefChem:117803?
The molecular weight of RefChem:117803 is 563.93 g/mol.
Where can I buy RefChem:117803?
You can request a quote for RefChem:117803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117803?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.