RefChem:117796
TL;DR: RefChem:117796 (CAS 67875-09-6) is a chemical compound with molecular formula C40H29K3N10O13S3 and molecular weight 1070.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tripotassium;2,5-bis[[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoyl]amino]benzenesulfonate
Also Known As: Benzenesulfonic acid, 2,5-bis((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)-, tripotassium salt, Benzenesulfonic acid, 2,5-bis((4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)-, potassium salt (1:3), Benzenesulfonic acid, 2,5-bis(4-((3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolyl)azo)benzoylamino)-, tripotassium salt, Benzenesulfonic acid, 2,5-bis[[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]-, tripotassium salt, Benzenesulfonic acid, 2,5-bis[[4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzoyl]amino]-, potassium salt (1:3)
| Molecular Formula | C40H29K3N10O13S3 |
|---|---|
| Molecular Weight | 1070.00 g/mol |
| LogP | -4.3345 |
| Topological Polar Surface Area | 370.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 1069.9989 |
| Heavy Atoms | 69 |
| Complexity | 2260.0 |
Chemical Identifiers
| CAS Number | 67875-09-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)[O-])C)S(=O)(=O)[O-])C7=CC=C(C=C7)S(=O)(=O)[O-].[K+].[K+].[K+] |
| InChIKey | OPLVQYDZWCACHA-UHFFFAOYSA-K |
Product Overview
RefChem:117796 (CAS 67875-09-6), with molecular formula C40H29K3N10O13S3 and molecular weight 1070.00 g/mol. IUPAC: tripotassium;2,5-bis[[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoyl]amino]benzenesulfonate.
Chemical Property Profile of RefChem:117796
Property Insights of RefChem:117796
The XLogP value of -4.3345 indicates that RefChem:117796 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 370.0 Ų indicates high polarity, suggesting RefChem:117796 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117796 has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117796?
The CAS number of RefChem:117796 is 67875-09-6.
What is the molecular formula of RefChem:117796?
The molecular formula of RefChem:117796 is C40H29K3N10O13S3.
What is the molecular weight of RefChem:117796?
The molecular weight of RefChem:117796 is 1070.00 g/mol.
Where can I buy RefChem:117796?
You can request a quote for RefChem:117796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117796?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.