RefChem:446065
TL;DR: RefChem:446065 (CAS 70729-66-7) is a chemical compound with molecular formula C40H22Ba3N4O20S6 and molecular weight 1483.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(barium(2+));bis(3-hydroxy-4-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate)
Also Known As: C20H14N2O10S3.3/2Ba, C20-H14-N2-O10-S3.3/2Ba, 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((1-sulfo-2-naphthalenyl)azo)-, barium salt (2:3), 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(1-sulfo-2-naphthalenyl)azo]-, barium salt (2:3), 1-Naphthalenesulfonic acid, 2-((2-hydroxy-3,6-disulfonic acid-1-naphthalenyl)azo), barium salt (3:2)
| Molecular Formula | C40H22Ba3N4O20S6 |
|---|---|
| Molecular Weight | 1483.63 g/mol |
| LogP | 4.51 |
| Topological Polar Surface Area | 483.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 4 |
| Exact Mass | 1483.6309 |
| Heavy Atoms | 73 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 70729-66-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ba+2].[Ba+2].[Ba+2] |
| InChIKey | CLXHEOGXZPXLDM-UHFFFAOYSA-H |
Product Overview
RefChem:446065 (CAS 70729-66-7), with molecular formula C40H22Ba3N4O20S6 and molecular weight 1483.63 g/mol. IUPAC: tris(barium(2+));bis(3-hydroxy-4-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate).
Chemical Property Profile of RefChem:446065
Property Insights of RefChem:446065
The XLogP value of 4.51 indicates that RefChem:446065 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 483.0 Ų indicates high polarity, suggesting RefChem:446065 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446065 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 RefChem:446065?
The CAS number of RefChem:446065 is 70729-66-7.
What is the molecular formula of RefChem:446065?
The molecular formula of RefChem:446065 is C40H22Ba3N4O20S6.
What is the molecular weight of RefChem:446065?
The molecular weight of RefChem:446065 is 1483.63 g/mol.
Where can I buy RefChem:446065?
You can request a quote for RefChem:446065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446065?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.