EINECS 301-402-1
TL;DR: EINECS 301-402-1 (CAS 62121-78-2) is a chemical compound with molecular formula C22H12Cl2N7Na3O10S2 and molecular weight 736.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;1-[5-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methyl-3-sulfonatophenyl]-5-oxo-4-[(2-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate
Also Known As: EINECS 301-402-1, Trisodium 1-(5-(((3,6-dichloropyridazin-4-yl)carbonyl)amino)-2-methyl-3-sulphonatophenyl)-4,5-dihydro-5-oxo-4-((2-sulphonatophenyl)azo)-1H-pyrazole-3-carboxylate, TRISODIUM 1-[5-[[(3,6-DICHLOROPYRIDAZIN-4-YL)CARBONYL]AMINO]-2-METHYL-3-SULPHONATOPHENYL]-4,5-DIHYDRO-5-OXO-4-[(2-SULPHONATOPHENYL)AZO]-1H-PYRAZOLE-3-CARBOXYLATE, 1H-Pyrazole-3-carboxylic acid, 1-(5-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-3-sulfo-phenyl)-4,5-dihydro-5-oxo-4-((2-sulfophenyl)azo)-, sodium salt, 1H-Pyrazole-3-carboxylic acid, 1-(5-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-3-sulfophenyl)-4,5-dihydro-5-oxo-4-((2-sulfophenyl)azo)-, sodium salt
| Molecular Formula | C22H12Cl2N7Na3O10S2 |
|---|---|
| Molecular Weight | 736.92 g/mol |
| LogP | -8.23068 |
| Topological Polar Surface Area | 266.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 736.9157 |
| Heavy Atoms | 46 |
| Complexity | 2001.5513 |
Chemical Identifiers
| CAS Number | 62121-78-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1S(=O)(=O)[O-])NC(=O)C2=CC(=NN=C2Cl)Cl)N3C(=O)C(C(=N3)C(=O)[O-])N=NC4=CC=CC=C4S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
EINECS 301-402-1 (CAS 62121-78-2), with molecular formula C22H12Cl2N7Na3O10S2 and molecular weight 736.92 g/mol. IUPAC: trisodium;1-[5-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methyl-3-sulfonatophenyl]-5-oxo-4-[(2-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate.
Chemical Property Profile of EINECS 301-402-1
Property Insights of EINECS 301-402-1
The XLogP value of -8.23068 indicates that EINECS 301-402-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.8 Ų indicates high polarity, suggesting EINECS 301-402-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 301-402-1 has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 301-402-1?
The CAS number of EINECS 301-402-1 is 62121-78-2.
What is the molecular formula of EINECS 301-402-1?
The molecular formula of EINECS 301-402-1 is C22H12Cl2N7Na3O10S2.
What is the molecular weight of EINECS 301-402-1?
The molecular weight of EINECS 301-402-1 is 736.92 g/mol.
Where can I buy EINECS 301-402-1?
You can request a quote for EINECS 301-402-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 301-402-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 301-402-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.