EINECS 229-684-0
TL;DR: EINECS 229-684-0 (CAS 6655-96-5) is a chemical compound with molecular formula C40H28N5Na3O13S3 and molecular weight 951.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;(7Z)-7-[[4-[4-[(2E)-2-(6-anilino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-8-oxonaphthalene-1,6-disulfonate
Also Known As: EINECS 229-684-0, 1,6-Naphthalenedisulfonic acid, 7-[[4'-[(6-anilino-1-hydroxy-3-sulfo-2-naphthyl)azo]-3,3'-dimethoxy-4-biphenylyl]azo]-8-hydroxy-, trisodium salt, 1,6-Naphthalenedisulfonic acid, 8-hydroxy-7-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trisodium salt, Trisodium 8-hydroxy-7-((4'-((1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-1,6-disulphonate, Trisodium 8-hydroxy-7-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,6-disulphonate
| Molecular Formula | C40H28N5Na3O13S3 |
|---|---|
| Molecular Weight | 951.05 g/mol |
| LogP | -3.8685 |
| Topological Polar Surface Area | 285.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 951.0539 |
| Heavy Atoms | 64 |
| Complexity | 3163.837 |
Chemical Identifiers
| CAS Number | 6655-96-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)NC5=CC=CC=C5)S(=O)(=O)[O-])OC)N/N=C/6\C(=CC7=C(C6=O)C(=CC=C7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
EINECS 229-684-0 (CAS 6655-96-5), with molecular formula C40H28N5Na3O13S3 and molecular weight 951.05 g/mol. IUPAC: trisodium;(7Z)-7-[[4-[4-[(2E)-2-(6-anilino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-8-oxonaphthalene-1,6-disulfonate.
Chemical Property Profile of EINECS 229-684-0
Property Insights of EINECS 229-684-0
The XLogP value of -3.8685 indicates that EINECS 229-684-0 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 285.01 Ų indicates high polarity, suggesting EINECS 229-684-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 229-684-0 has 3 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 229-684-0?
The CAS number of EINECS 229-684-0 is 6655-96-5.
What is the molecular formula of EINECS 229-684-0?
The molecular formula of EINECS 229-684-0 is C40H28N5Na3O13S3.
What is the molecular weight of EINECS 229-684-0?
The molecular weight of EINECS 229-684-0 is 951.05 g/mol.
Where can I buy EINECS 229-684-0?
You can request a quote for EINECS 229-684-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-684-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-684-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.