EINECS 219-968-2
TL;DR: EINECS 219-968-2 (CAS 2587-59-9) is a chemical compound with molecular formula C27H15Cl2N6Na3O11S3 and molecular weight 833.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;7-[[2-acetamido-4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
Also Known As: EINECS 219-968-2, Trisodium 7-((2-(acetylamino)-4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonate, trisodium7-[[2- -4-[[ carbonyl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate, 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-(acetylamino)-4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]phenyl]diazenyl]-, sodium salt (1:3), 1,3,6-Naphthalenetrisulfonicacid,7-[2-[2-(acetylamino)-4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]phenyl]diazenyl]-,sodium salt (1:3)
| Molecular Formula | C27H15Cl2N6Na3O11S3 |
|---|---|
| Molecular Weight | 833.90 g/mol |
| LogP | -4.5598 |
| Topological Polar Surface Area | 280.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 833.90314 |
| Heavy Atoms | 52 |
| Complexity | 2635.7217 |
Chemical Identifiers
| CAS Number | 2587-59-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)Cl)Cl)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
EINECS 219-968-2 (CAS 2587-59-9), with molecular formula C27H15Cl2N6Na3O11S3 and molecular weight 833.90 g/mol. IUPAC: trisodium;7-[[2-acetamido-4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate.
Chemical Property Profile of EINECS 219-968-2
Property Insights of EINECS 219-968-2
The XLogP value of -4.5598 indicates that EINECS 219-968-2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 280.3 Ų indicates high polarity, suggesting EINECS 219-968-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 219-968-2 has 2 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 219-968-2?
The CAS number of EINECS 219-968-2 is 2587-59-9.
What is the molecular formula of EINECS 219-968-2?
The molecular formula of EINECS 219-968-2 is C27H15Cl2N6Na3O11S3.
What is the molecular weight of EINECS 219-968-2?
The molecular weight of EINECS 219-968-2 is 833.90 g/mol.
Where can I buy EINECS 219-968-2?
You can request a quote for EINECS 219-968-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 219-968-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 219-968-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.