EINECS 280-126-2
TL;DR: EINECS 280-126-2 (CAS 83006-76-2) is a chemical compound with molecular formula C25H19ClLiN4NaO10S3 and molecular weight 696.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
lithium;sodium;6-amino-5-[[4-[[3-(benzenesulfonyl)-3-chloropropanoyl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
Also Known As: EINECS 280-126-2, Lithium sodium 6-amino-5-((4-((3-chloro-1-oxo-3-(phenylsulphonyl)propyl)amino)-2-sulphonatophenyl)azo)-4-hydroxynaphthalene-2-sulphonate, 2-Naphthalenesulfonicacid,6-amino-5-[2-[4-[[3-chloro-1-oxo-3-(phenylsulfonyl)propyl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-,lithium sodium salt (1:?:?), lithium sodium 5-[2-[4-[[3-(benzenesulfonyl)-3-chloropropanoyl]amino]-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate, Lithium sodium 6-amino-5-[[4-[[3-chloro-1-oxo-3-(phenylsulphonyl)propyl]amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate
| Molecular Formula | C25H19ClLiN4NaO10S3 |
|---|---|
| Molecular Weight | 696.00 g/mol |
| LogP | -2.2734 |
| Topological Polar Surface Area | 248.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 696.001 |
| Heavy Atoms | 45 |
| Complexity | 2120.0806 |
Chemical Identifiers
| CAS Number | 83006-76-2 |
|---|---|
| SMILES | [Li+].C1=CC=C(C=C1)S(=O)(=O)C(CC(=O)NC2=CC(=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N)S(=O)(=O)[O-])Cl.[Na+] |
Product Overview
EINECS 280-126-2 (CAS 83006-76-2), with molecular formula C25H19ClLiN4NaO10S3 and molecular weight 696.00 g/mol. IUPAC: lithium;sodium;6-amino-5-[[4-[[3-(benzenesulfonyl)-3-chloropropanoyl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.
Chemical Property Profile of EINECS 280-126-2
Property Insights of EINECS 280-126-2
The XLogP value of -2.2734 indicates that EINECS 280-126-2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.61 Ų indicates high polarity, suggesting EINECS 280-126-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 280-126-2 has 3 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 280-126-2?
The CAS number of EINECS 280-126-2 is 83006-76-2.
What is the molecular formula of EINECS 280-126-2?
The molecular formula of EINECS 280-126-2 is C25H19ClLiN4NaO10S3.
What is the molecular weight of EINECS 280-126-2?
The molecular weight of EINECS 280-126-2 is 696.00 g/mol.
Where can I buy EINECS 280-126-2?
You can request a quote for EINECS 280-126-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 280-126-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 280-126-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.