RefChem:565686
TL;DR: RefChem:565686 (CAS 66256-74-4) is a chemical compound with molecular formula C29H22N6Na2O7 and molecular weight 612.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[[4-[[4-[(5-carboxylato-2-hydroxy-3-methylphenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-4-hydroxy-5-methylbenzoate
Also Known As: Benzoic acid, 3,3'-[carbonylbis(imino-4,1-phenyleneazo)]bis[6-hydroxy-5-methyl-, disodium salt, 5,5'-(Ureylenebis((p-phenylene)azo)bis(3-methylsalicylic) acid, disodium salt, 5,5'-(Ureylenebis(p-phenyleneazo))di-2,3-cresotic acid, disodium salt, 4,5-Dihydro-5-oxo-4-((m-tolyl)azo)-1H-pyrazole-3-carboxylic acid, Benzoic acid, 3,3'-(carbonylbis(imino-4,1-phenyleneazo))bis(6-hydroxy-5-methyl-, disodium salt
| Molecular Formula | C29H22N6Na2O7 |
|---|---|
| Molecular Weight | 612.13 g/mol |
| LogP | -1.08 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 612.1345 |
| Heavy Atoms | 44 |
| Complexity | 908.0 |
Chemical Identifiers
| CAS Number | 66256-74-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)N=NC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N=NC4=C(C(=CC(=C4)C(=O)[O-])C)O)C(=O)[O-].[Na+].[Na+] |
| InChIKey | URUZSVINLOUBDG-UHFFFAOYSA-L |
Product Overview
RefChem:565686 (CAS 66256-74-4), with molecular formula C29H22N6Na2O7 and molecular weight 612.13 g/mol. IUPAC: disodium;3-[[4-[[4-[(5-carboxylato-2-hydroxy-3-methylphenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-4-hydroxy-5-methylbenzoate.
Chemical Property Profile of RefChem:565686
Property Insights of RefChem:565686
The XLogP value of -1.08 indicates that RefChem:565686 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting RefChem:565686 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:565686 has 4 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:565686?
The CAS number of RefChem:565686 is 66256-74-4.
What is the molecular formula of RefChem:565686?
The molecular formula of RefChem:565686 is C29H22N6Na2O7.
What is the molecular weight of RefChem:565686?
The molecular weight of RefChem:565686 is 612.13 g/mol.
Where can I buy RefChem:565686?
You can request a quote for RefChem:565686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565686?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.