RefChem:199036
TL;DR: RefChem:199036 (CAS 6694-64-0) is a chemical compound with molecular formula C21H13Cl2N5O8S2 and molecular weight 596.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,6-dichloropyridazine-4-carbonyl)amino]-4-hydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Also Known As: 2-Naphthalenesulfonic acid, 6-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-4-hydroxy-3-((4-sulfophenyl)azo)-, 2-Naphthalenesulfonic acid, 6-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-4-hydroxy-3-[(4-sulfophenyl)azo]-, 2-Naphthalenesulfonic acid, 6-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-4-hydroxy-3-(2-(4-sulfophenyl)diazenyl)-, 2-Naphthalenesulfonic acid, 6-((3,6-dichloropyridaz-4-yl)carbonyl)amino)-4-hydroxy-3-((4-sulfophenyl)azo)-, 6-(3,6-Dichloropyridazine-4-carboxamido)-4-hydroxy-3-((p-sulfophenyl)azo)naphthalene-2-sulfonic acid
| Molecular Formula | C21H13Cl2N5O8S2 |
|---|---|
| Molecular Weight | 596.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 596.95825 |
| Heavy Atoms | 38 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 6694-64-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C(C=C3C=CC(=CC3=C2O)NC(=O)C4=CC(=NN=C4Cl)Cl)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | QEGZDILPMJSNCK-UHFFFAOYSA-N |
Product Overview
RefChem:199036 (CAS 6694-64-0), with molecular formula C21H13Cl2N5O8S2 and molecular weight 596.96 g/mol. IUPAC: 6-[(3,6-dichloropyridazine-4-carbonyl)amino]-4-hydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.
Chemical Property Profile of RefChem:199036
Property Insights of RefChem:199036
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:199036. The TPSA of 225.0 Ų indicates high polarity, suggesting RefChem:199036 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:199036 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:199036?
The CAS number of RefChem:199036 is 6694-64-0.
What is the molecular formula of RefChem:199036?
The molecular formula of RefChem:199036 is C21H13Cl2N5O8S2.
What is the molecular weight of RefChem:199036?
The molecular weight of RefChem:199036 is 596.96 g/mol.
Where can I buy RefChem:199036?
You can request a quote for RefChem:199036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:199036?
Yes, KEHONG BIO provides custom synthesis services for RefChem:199036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.