EINECS 229-161-7
TL;DR: EINECS 229-161-7 (CAS 6420-40-2) is a chemical compound with molecular formula C34H22N6Na2O11S2 and molecular weight 800.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(3Z)-7-[[(6Z)-6-[(3-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]carbamoylamino]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2-sulfonate
Also Known As: EINECS 229-161-7, Benzoic acid, 3-[[1-hydroxy-6-[[[[5-hydroxy- 6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl ]amino]-3-sulfo-2-naphthalenyl]azo]-, trisodium salt, disodium (3Z)-7-[[(6Z)-6-[(3-carboxyphenyl)hydrazono]-5-oxo-7-sulfonato-2-naphthyl]carbamoylamino]-4-oxo-3-(phenylhydrazono)naphthalene-2-sulfonate
| Molecular Formula | C34H22N6Na2O11S2 |
|---|---|
| Molecular Weight | 800.06 g/mol |
| LogP | -1.8622 |
| Topological Polar Surface Area | 275.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 800.05835 |
| Heavy Atoms | 55 |
| Complexity | 2612.02 |
Chemical Identifiers
| CAS Number | 6420-40-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)/C(=N/NC6=CC=CC(=C6)C(=O)O)/C(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
EINECS 229-161-7 (CAS 6420-40-2), with molecular formula C34H22N6Na2O11S2 and molecular weight 800.06 g/mol. IUPAC: disodium;(3Z)-7-[[(6Z)-6-[(3-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]carbamoylamino]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2-sulfonate.
Chemical Property Profile of EINECS 229-161-7
Property Insights of EINECS 229-161-7
The XLogP value of -1.8622 indicates that EINECS 229-161-7 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 275.75 Ų indicates high polarity, suggesting EINECS 229-161-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 229-161-7 has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 229-161-7?
The CAS number of EINECS 229-161-7 is 6420-40-2.
What is the molecular formula of EINECS 229-161-7?
The molecular formula of EINECS 229-161-7 is C34H22N6Na2O11S2.
What is the molecular weight of EINECS 229-161-7?
The molecular weight of EINECS 229-161-7 is 800.06 g/mol.
Where can I buy EINECS 229-161-7?
You can request a quote for EINECS 229-161-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-161-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-161-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.