EINECS 273-396-8
TL;DR: EINECS 273-396-8 (CAS 68959-10-4) is a chemical compound with molecular formula C34H20Ba3Cl2N4O20S6 and molecular weight 1479.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(barium(2+));bis(4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate)
Also Known As: C17H13ClN2O10S3.3/2Ba, C17-H13-Cl-N2-O10-S3.3/2Ba, 2,7-Naphthalenedisulfonic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, barium salt (2:3), tribariumbis[4-[ azo]-3-hydroxynaphthalene-2,7-disulphonate], 2,7-Naphthalenedisulfonic acid, 4-((5-chloro-4-methyl-2-sulfophenyl)azo)-3-hydroxy-, barium salt (2:3)
| Molecular Formula | C34H20Ba3Cl2N4O20S6 |
|---|---|
| Molecular Weight | 1479.55 g/mol |
| LogP | 4.13 |
| Topological Polar Surface Area | 483.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 4 |
| Exact Mass | 1479.553 |
| Heavy Atoms | 69 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 68959-10-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].CC1=CC(=C(C=C1Cl)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Ba+2].[Ba+2].[Ba+2] |
| InChIKey | XNQTVNKHGQNOQM-UHFFFAOYSA-H |
Product Overview
EINECS 273-396-8 (CAS 68959-10-4), with molecular formula C34H20Ba3Cl2N4O20S6 and molecular weight 1479.55 g/mol. IUPAC: tris(barium(2+));bis(4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate).
Chemical Property Profile of EINECS 273-396-8
Property Insights of EINECS 273-396-8
The XLogP value of 4.13 indicates that EINECS 273-396-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 483.0 Ų indicates high polarity, suggesting EINECS 273-396-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 273-396-8 has 2 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 273-396-8?
The CAS number of EINECS 273-396-8 is 68959-10-4.
What is the molecular formula of EINECS 273-396-8?
The molecular formula of EINECS 273-396-8 is C34H20Ba3Cl2N4O20S6.
What is the molecular weight of EINECS 273-396-8?
The molecular weight of EINECS 273-396-8 is 1479.55 g/mol.
Where can I buy EINECS 273-396-8?
You can request a quote for EINECS 273-396-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 273-396-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 273-396-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.