EINECS 229-829-8
TL;DR: EINECS 229-829-8 (CAS 6771-81-9) is a chemical compound with molecular formula C33H22N8Na4O15S4 and molecular weight 989.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;3-imino-4-[2-[4-[[4-[2-(2-imino-8-oxo-3,6-disulfonatonaphthalen-1-yl)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinyl]-5-oxonaphthalene-2,7-disulfonate
Also Known As: EINECS 229-829-8, C.I. Direct Red 101, tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 4,4'-[carbonylbis(imino-4,1-phenyleneazo)]bis[3-amino-5-hydroxy-, tetrasodium salt, tetrasodium 3-imino-4-[2-[4-[[4-[2-(2-imino-8-oxo-3,6-disulfonatonaphthalen-1-yl)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinyl]-5-oxonaphthalene-2,7-disulfonate, Tetrasodium 4,4'-(carbonylbis(imino-4,1-phenyleneazo))bis(3-amino-5-hydroxynaphthalene-2,7-disulphonate)
| Molecular Formula | C33H22N8Na4O15S4 |
|---|---|
| Molecular Weight | 989.97 g/mol |
| LogP | -11.51086 |
| Topological Polar Surface Area | 399.89 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 989.96783 |
| Heavy Atoms | 64 |
| Complexity | 2899.5198 |
Chemical Identifiers
| CAS Number | 6771-81-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)[O-])C=C(C3=N)S(=O)(=O)[O-])NNC5=C6C(=CC(=CC6=O)S(=O)(=O)[O-])C=C(C5=N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
Product Overview
EINECS 229-829-8 (CAS 6771-81-9), with molecular formula C33H22N8Na4O15S4 and molecular weight 989.97 g/mol. IUPAC: tetrasodium;3-imino-4-[2-[4-[[4-[2-(2-imino-8-oxo-3,6-disulfonatonaphthalen-1-yl)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinyl]-5-oxonaphthalene-2,7-disulfonate.
Chemical Property Profile of EINECS 229-829-8
Property Insights of EINECS 229-829-8
The XLogP value of -11.51086 indicates that EINECS 229-829-8 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 399.89 Ų indicates high polarity, suggesting EINECS 229-829-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 229-829-8 has 8 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 229-829-8?
The CAS number of EINECS 229-829-8 is 6771-81-9.
What is the molecular formula of EINECS 229-829-8?
The molecular formula of EINECS 229-829-8 is C33H22N8Na4O15S4.
What is the molecular weight of EINECS 229-829-8?
The molecular weight of EINECS 229-829-8 is 989.97 g/mol.
Where can I buy EINECS 229-829-8?
You can request a quote for EINECS 229-829-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-829-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-829-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.