EINECS 288-954-6
TL;DR: EINECS 288-954-6 (CAS 85940-66-5) is a chemical compound with molecular formula C27H21N4Na3O15S4 and molecular weight 837.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-acetamido-4-hydroxy-3-[[4-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: Trisodium 5-(acetylamino)-4-hydroxy-3-((4-(((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)carbonyl)phenyl)azo)naphthalene-2,7-disulphonate, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]azo]-, sodium salt, trisodium;5-acetamido-4-hydroxy-3-[[4-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonate, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-((4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)azo)-, sodium salt, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-(4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)diazenyl)-, sodium salt (1:?)
| Molecular Formula | C27H21N4Na3O15S4 |
|---|---|
| Molecular Weight | 837.96 g/mol |
| LogP | -6.7578 |
| Topological Polar Surface Area | 352.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 837.95795 |
| Heavy Atoms | 53 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 85940-66-5 |
|---|---|
| SMILES | CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | DPEUGRLBPCIGMU-UHFFFAOYSA-K |
Product Overview
EINECS 288-954-6 (CAS 85940-66-5), with molecular formula C27H21N4Na3O15S4 and molecular weight 837.96 g/mol. IUPAC: trisodium;5-acetamido-4-hydroxy-3-[[4-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of EINECS 288-954-6
Property Insights of EINECS 288-954-6
The XLogP value of -6.7578 indicates that EINECS 288-954-6 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 352.0 Ų indicates high polarity, suggesting EINECS 288-954-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 288-954-6 has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 288-954-6?
The CAS number of EINECS 288-954-6 is 85940-66-5.
What is the molecular formula of EINECS 288-954-6?
The molecular formula of EINECS 288-954-6 is C27H21N4Na3O15S4.
What is the molecular weight of EINECS 288-954-6?
The molecular weight of EINECS 288-954-6 is 837.96 g/mol.
Where can I buy EINECS 288-954-6?
You can request a quote for EINECS 288-954-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-954-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-954-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.