RefChem:417824
TL;DR: RefChem:417824 (CAS 68929-13-5) is a chemical compound with molecular formula C24H15BaN3Na2O8S2 and molecular weight 720.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;barium(2+);N-[7-[(3-methylphenyl)diazenyl]-8-oxido-4,6-disulfonatonaphthalen-1-yl]benzenecarboximidate
Also Known As: 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-((3-methylphenyl)azo)-, barium sodium salt (1:1:2), 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-(2-(3-methylphenyl)diazenyl)-, barium sodium salt (1:1:2), 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[(3-methylphenyl)azo]-, barium sodium salt (1:1:2), Barium disodium 4-benzamidato-5-oxido-6-((m-tolyl)azo)naphthalene-1,7-disulphonate, Barium disodium 4-benzamidato-5-oxido-6-[(m-tolyl)azo]naphthalene-1,7-disulfonate
| Molecular Formula | C24H15BaN3Na2O8S2 |
|---|---|
| Molecular Weight | 720.91 g/mol |
| LogP | -3.49 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 720.91486 |
| Heavy Atoms | 40 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 68929-13-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N=NC2=C(C3=C(C=CC(=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=C(C4=CC=CC=C4)[O-])[O-].[Na+].[Na+].[Ba+2] |
| InChIKey | MMFBQOBEFYXMJP-UHFFFAOYSA-J |
Product Overview
RefChem:417824 (CAS 68929-13-5), with molecular formula C24H15BaN3Na2O8S2 and molecular weight 720.91 g/mol. IUPAC: disodium;barium(2+);N-[7-[(3-methylphenyl)diazenyl]-8-oxido-4,6-disulfonatonaphthalen-1-yl]benzenecarboximidate.
Chemical Property Profile of RefChem:417824
Property Insights of RefChem:417824
The XLogP value of -3.49 indicates that RefChem:417824 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting RefChem:417824 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417824 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:417824?
The CAS number of RefChem:417824 is 68929-13-5.
What is the molecular formula of RefChem:417824?
The molecular formula of RefChem:417824 is C24H15BaN3Na2O8S2.
What is the molecular weight of RefChem:417824?
The molecular weight of RefChem:417824 is 720.91 g/mol.
Where can I buy RefChem:417824?
You can request a quote for RefChem:417824 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417824?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417824 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.