RefChem:417410
TL;DR: RefChem:417410 (CAS 67990-36-7) is a chemical compound with molecular formula C20H12BaN2O7S2 and molecular weight 593.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);3-[(1-hydroxynaphthalen-2-yl)diazenyl]naphthalene-1,5-disulfonate
Also Known As: barium3-[ azo]naphthalene-1,5-disulphonate, Barium 3-((1-hydroxy-2-naphthyl)azo)naphthalene-1,5-disulphonate, 1,5-Naphthalenedisulfonic acid, 3-(2-(1-hydroxy-2-naphthalenyl)diazenyl)-, barium salt (1:1), 1,5-Naphthalenedisulfonic acid, 3-[(1-hydroxy-2-naphthalenyl)azo]-, barium salt (1:1), 1,5-Naphthalenedisulfonic acid, 3-((1-hydroxy-2-naphthalenyl)azo)-, barium salt (1:1)
| Molecular Formula | C20H12BaN2O7S2 |
|---|---|
| Molecular Weight | 593.91 g/mol |
| LogP | 3.54 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 593.9138 |
| Heavy Atoms | 32 |
| Complexity | 854.0 |
Chemical Identifiers
| CAS Number | 67990-36-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-].[Ba+2] |
| InChIKey | BFTAOJGBCXFTOW-UHFFFAOYSA-L |
Product Overview
RefChem:417410 (CAS 67990-36-7), with molecular formula C20H12BaN2O7S2 and molecular weight 593.91 g/mol. IUPAC: barium(2+);3-[(1-hydroxynaphthalen-2-yl)diazenyl]naphthalene-1,5-disulfonate.
Chemical Property Profile of RefChem:417410
Property Insights of RefChem:417410
The XLogP value of 3.54 indicates that RefChem:417410 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:417410 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417410 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:417410?
The CAS number of RefChem:417410 is 67990-36-7.
What is the molecular formula of RefChem:417410?
The molecular formula of RefChem:417410 is C20H12BaN2O7S2.
What is the molecular weight of RefChem:417410?
The molecular weight of RefChem:417410 is 593.91 g/mol.
Where can I buy RefChem:417410?
You can request a quote for RefChem:417410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417410?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.