EINECS 280-436-8
TL;DR: EINECS 280-436-8 (CAS 83400-20-8) is a chemical compound with molecular formula C26H11ClF2N9Na3O13S3 and molecular weight 894.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[4-[(2Z)-2-(4-carboxy-2,6-dioxo-3-pyridinylidene)hydrazinyl]-3-sulfonatophenyl]-7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzo[e]benzotriazole-5,9-disulfonate
Also Known As: EINECS 280-436-8, 3-[[4-[7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-5,9-disulpho-2H-naphtho[1,2-d]triazol-2-yl]-2-sulphophenyl]azo]-1,2-dihydro-6-hydroxy-2-oxoisonicotinic acid, sodium salt, 4-Pyridinecarboxylic acid, 3-((4-(7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-5,9-disulfo-2H-naphtho(1,2-d)triazol-2-yl)-2-sulfophenyl)azo)-1,2-dihydro-6-hydroxy-2-oxo-, sodium salt, 4-Pyridinecarboxylic acid, 3-(2-(4-(7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-5,9-disulfo-2H-naphtho(1,2-d)triazol-2-yl)-2-sulfophenyl)diazenyl)-1,2-dihydro-6-hydroxy-2-oxo-, sodium salt (1:?), 4-Pyridinecarboxylic acid, 3-[[4-[7-[(5-chloro-2,6-difluoro- 4-pyrimidinyl)amino]-5,9-disulfo-2H-naphtho [1,2-d]triazol-2-yl]-2-sulfophenyl]azo]-1,2-dihydr o-6-hydroxy-2-oxo-, sodium salt
| Molecular Formula | C26H11ClF2N9Na3O13S3 |
|---|---|
| Molecular Weight | 894.90 g/mol |
| LogP | -8.8015 |
| Topological Polar Surface Area | 347.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 894.8988 |
| Heavy Atoms | 57 |
| Complexity | 2974.4622 |
Chemical Identifiers
| CAS Number | 83400-20-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2N=C3C=C(C4=C(C3=N2)C(=CC(=C4)NC5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N/N=C\6/C(=CC(=O)NC6=O)C(=O)O.[Na+].[Na+].[Na+] |
Product Overview
EINECS 280-436-8 (CAS 83400-20-8), with molecular formula C26H11ClF2N9Na3O13S3 and molecular weight 894.90 g/mol. IUPAC: trisodium;2-[4-[(2Z)-2-(4-carboxy-2,6-dioxo-3-pyridinylidene)hydrazinyl]-3-sulfonatophenyl]-7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzo[e]benzotriazole-5,9-disulfonate.
Chemical Property Profile of EINECS 280-436-8
Property Insights of EINECS 280-436-8
The XLogP value of -8.8015 indicates that EINECS 280-436-8 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 347.98 Ų indicates high polarity, suggesting EINECS 280-436-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 280-436-8 has 4 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 280-436-8?
The CAS number of EINECS 280-436-8 is 83400-20-8.
What is the molecular formula of EINECS 280-436-8?
The molecular formula of EINECS 280-436-8 is C26H11ClF2N9Na3O13S3.
What is the molecular weight of EINECS 280-436-8?
The molecular weight of EINECS 280-436-8 is 894.90 g/mol.
Where can I buy EINECS 280-436-8?
You can request a quote for EINECS 280-436-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 280-436-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 280-436-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.