RefChem:417815
TL;DR: RefChem:417815 (CAS 68929-14-6) is a chemical compound with molecular formula C24H13BaCl2N3Na2O9S2 and molecular weight 804.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;barium(2+);2,4-dichloro-N-[7-[(2-methoxyphenyl)diazenyl]-8-oxido-4,6-disulfonatonaphthalen-1-yl]benzenecarboximidate
Also Known As: 1,7-Naphthalenedisulfonic acid, 4-((2,4-dichlorobenzoyl)amino)-5-hydroxy-6-(2-(2-methoxyphenyl)diazenyl)-, barium sodium salt (1:1:2), 1,7-Naphthalenedisulfonic acid, 4-((2,4-dichlorobenzoyl)amino)-5-hydroxy-6-((2-methoxyphenyl)azo)-, barium sodium salt (1:1:2), 1,7-Naphthalenedisulfonic acid, 4-[(2,4-dichlorobenzoyl)amino]-5-hydroxy-6-[2-(2-methoxyphenyl)diazenyl]-, barium sodium salt (1:1:2), Barium disodium 4-(2,4-dichlorobenzamidato)-6-[(o-methoxyphenyl)azo]-5-oxidonaphthalene-1,7-disulfonate, 1,7-Naphthalenedisulfonic acid, 4-[(2,4-dichlorobenzoyl)amino]-5-hydroxy-6-[(2-methoxyphenyl)azo]-, barium sodium salt (1:1:2)
| Molecular Formula | C24H13BaCl2N3Na2O9S2 |
|---|---|
| Molecular Weight | 804.83 g/mol |
| LogP | -2.48 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 804.8318 |
| Heavy Atoms | 43 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 68929-14-6 |
|---|---|
| SMILES | COC1=CC=CC=C1N=NC2=C(C3=C(C=CC(=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=C(C4=C(C=C(C=C4)Cl)Cl)[O-])[O-].[Na+].[Na+].[Ba+2] |
| InChIKey | YABKECNCEZCCOL-UHFFFAOYSA-J |
Product Overview
RefChem:417815 (CAS 68929-14-6), with molecular formula C24H13BaCl2N3Na2O9S2 and molecular weight 804.83 g/mol. IUPAC: disodium;barium(2+);2,4-dichloro-N-[7-[(2-methoxyphenyl)diazenyl]-8-oxido-4,6-disulfonatonaphthalen-1-yl]benzenecarboximidate.
Chemical Property Profile of RefChem:417815
Property Insights of RefChem:417815
The XLogP value of -2.48 indicates that RefChem:417815 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.0 Ų indicates high polarity, suggesting RefChem:417815 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417815 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:417815?
The CAS number of RefChem:417815 is 68929-14-6.
What is the molecular formula of RefChem:417815?
The molecular formula of RefChem:417815 is C24H13BaCl2N3Na2O9S2.
What is the molecular weight of RefChem:417815?
The molecular weight of RefChem:417815 is 804.83 g/mol.
Where can I buy RefChem:417815?
You can request a quote for RefChem:417815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417815?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.