EINECS 266-646-2
TL;DR: EINECS 266-646-2 (CAS 67332-90-5) is a chemical compound with molecular formula C20H14Cl2N4O7S2 and molecular weight 555.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
Also Known As: 2-((1-(2,5-Dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)naphthalene-1-sulphonic acid, 2-{(e)-[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}naphthalene-1-sulfonic acid, sodium 1-tert-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-olate, 2-[[[1-(2,5-Dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]-1-naphthalenesulfonic acid, 2-[[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
| Molecular Formula | C20H14Cl2N4O7S2 |
|---|---|
| Molecular Weight | 555.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 555.9681 |
| Heavy Atoms | 35 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 67332-90-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl |
| InChIKey | VCGAKRQDKWIYGA-UHFFFAOYSA-N |
Product Overview
EINECS 266-646-2 (CAS 67332-90-5), with molecular formula C20H14Cl2N4O7S2 and molecular weight 555.97 g/mol. IUPAC: 2-[[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid.
Chemical Property Profile of EINECS 266-646-2
Property Insights of EINECS 266-646-2
The XLogP value of 3.3 indicates that EINECS 266-646-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting EINECS 266-646-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 266-646-2 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 EINECS 266-646-2?
The CAS number of EINECS 266-646-2 is 67332-90-5.
What is the molecular formula of EINECS 266-646-2?
The molecular formula of EINECS 266-646-2 is C20H14Cl2N4O7S2.
What is the molecular weight of EINECS 266-646-2?
The molecular weight of EINECS 266-646-2 is 555.97 g/mol.
Where can I buy EINECS 266-646-2?
You can request a quote for EINECS 266-646-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 266-646-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 266-646-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.