EINECS 229-327-9
TL;DR: EINECS 229-327-9 (CAS 6473-15-0) is a chemical compound with molecular formula C37H22N7Na3O11S2 and molecular weight 873.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;(3Z)-3-[[4-[(2Z)-2-[7-[(2E)-2-(6-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]naphthalen-1-yl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
Also Known As: EINECS 229-327-9, C.I. Direct Black 49, disodium salt, Benzoic acid, 5-[[4-[[7-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-1-naphthalenyl]azo]-2-hydroxy-, trisodium salt, Trisodium 5-((4-((7-((6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-1-naphthyl)azo)salicylate, Trisodium 5-[[4-[[7-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-1-naphthyl]azo]salicylate
| Molecular Formula | C37H22N7Na3O11S2 |
|---|---|
| Molecular Weight | 873.05 g/mol |
| LogP | -6.8819 |
| Topological Polar Surface Area | 304.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 873.0512 |
| Heavy Atoms | 60 |
| Complexity | 2996.9248 |
Chemical Identifiers
| CAS Number | 6473-15-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2N/N=C/3\C(=CC4=C(C3=O)C=C(C=C4)N/N=C\5/C(=CC6=C(C5=O)C=CC(=C6)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N/N=C\7/C=CC(=O)C(=C7)C(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
EINECS 229-327-9 (CAS 6473-15-0), with molecular formula C37H22N7Na3O11S2 and molecular weight 873.05 g/mol. IUPAC: trisodium;(3Z)-3-[[4-[(2Z)-2-[7-[(2E)-2-(6-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]naphthalen-1-yl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate.
Chemical Property Profile of EINECS 229-327-9
Property Insights of EINECS 229-327-9
The XLogP value of -6.8819 indicates that EINECS 229-327-9 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.93 Ų indicates high polarity, suggesting EINECS 229-327-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 229-327-9 has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 229-327-9?
The CAS number of EINECS 229-327-9 is 6473-15-0.
What is the molecular formula of EINECS 229-327-9?
The molecular formula of EINECS 229-327-9 is C37H22N7Na3O11S2.
What is the molecular weight of EINECS 229-327-9?
The molecular weight of EINECS 229-327-9 is 873.05 g/mol.
Where can I buy EINECS 229-327-9?
You can request a quote for EINECS 229-327-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-327-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-327-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.