EINECS 260-603-1
TL;DR: EINECS 260-603-1 (CAS 57167-02-9) is a chemical compound with molecular formula C46H33N10Na3O13S3 and molecular weight 1098.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;(3Z)-5-[(2Z)-2-(2-amino-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-[[4-[4-[(2E)-2-[7-[(2E)-2-(2-amino-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
Also Known As: EINECS 260-603-1, 2,7-Naphthalenedisulfonic acid, 5-((2-amino-4-hydroxyphenyl)azo)-3-((4'-((7-((2-amino-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-, sodium salt, 2,7-Naphthalenedisulfonic acid, 5-[(2-amino-4-hydroxyphenyl)azo]-3-[[4'-[[7-[(2-amino-4-hydroxyphenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, sodium salt
| Molecular Formula | C46H33N10Na3O13S3 |
|---|---|
| Molecular Weight | 1098.11 g/mol |
| LogP | -5.51366 |
| Topological Polar Surface Area | 389.48 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 12 |
| Exact Mass | 1098.1084 |
| Heavy Atoms | 75 |
| Complexity | 3863.0696 |
Chemical Identifiers
| CAS Number | 57167-02-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C/3\C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])N/N=C\5/C=CC(=O)C=C5N)S(=O)(=O)[O-])C)N/N=C\6/C(=CC7=C(C6=O)C=C(C=C7)N/N=C/8\C=CC(=O)C=C8N)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
EINECS 260-603-1 (CAS 57167-02-9), with molecular formula C46H33N10Na3O13S3 and molecular weight 1098.11 g/mol. IUPAC: trisodium;(3Z)-5-[(2Z)-2-(2-amino-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-[[4-[4-[(2E)-2-[7-[(2E)-2-(2-amino-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate.
Chemical Property Profile of EINECS 260-603-1
Property Insights of EINECS 260-603-1
The XLogP value of -5.51366 indicates that EINECS 260-603-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.48 Ų indicates high polarity, suggesting EINECS 260-603-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 260-603-1 has 6 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 260-603-1?
The CAS number of EINECS 260-603-1 is 57167-02-9.
What is the molecular formula of EINECS 260-603-1?
The molecular formula of EINECS 260-603-1 is C46H33N10Na3O13S3.
What is the molecular weight of EINECS 260-603-1?
The molecular weight of EINECS 260-603-1 is 1098.11 g/mol.
Where can I buy EINECS 260-603-1?
You can request a quote for EINECS 260-603-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 260-603-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 260-603-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.