Einecs 275-170-4
TL;DR: Einecs 275-170-4 (CAS 71077-14-0) is a chemical compound with molecular formula C17H18ClN7O9S2 and molecular weight 563.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
guanidine;5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid;hydrochloride
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs., 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs., Guanidine;5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid;hydrochloride, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-(2-(4-sulfophenyl)diazenyl)-, reaction products with guanidine hydrochloride (1:?) N,N'-bis(mixed Ph, tolyl and xylyl) derivs., guanidine; 5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid; hydrochloride
| Molecular Formula | C17H18ClN7O9S2 |
|---|---|
| Molecular Weight | 563.03 g/mol |
| LogP | 0.38007 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 563.0296 |
| Heavy Atoms | 36 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 71077-14-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O.C(=N)(N)N.Cl |
| InChIKey | BHAUFROZPICYNL-UHFFFAOYSA-N |
Product Overview
Einecs 275-170-4 (CAS 71077-14-0), with molecular formula C17H18ClN7O9S2 and molecular weight 563.03 g/mol. IUPAC: guanidine;5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid;hydrochloride.
Chemical Property Profile of Einecs 275-170-4
Property Insights of Einecs 275-170-4
The XLogP value of 0.38007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 275-170-4. The TPSA of 296.0 Ų indicates high polarity, suggesting Einecs 275-170-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 275-170-4 has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 275-170-4?
The CAS number of Einecs 275-170-4 is 71077-14-0.
What is the molecular formula of Einecs 275-170-4?
The molecular formula of Einecs 275-170-4 is C17H18ClN7O9S2.
What is the molecular weight of Einecs 275-170-4?
The molecular weight of Einecs 275-170-4 is 563.03 g/mol.
Where can I buy Einecs 275-170-4?
You can request a quote for Einecs 275-170-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 275-170-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 275-170-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.