RefChem:446376
TL;DR: RefChem:446376 (CAS 72828-83-2) is a chemical compound with molecular formula C35H29N3Na2O9S2 and molecular weight 745.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-benzamido-3-[[2-(2-cyclohexylphenoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Also Known As: Disodium 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulfonate, 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxy-, disodium salt, 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(2-(2-cyclohexylphenoxy)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:2), 3-((2-(2-Cyclohexylphenoxy)phenyl)azo)-4-hydroxy-5-benzamidonaphthalene-2,7-disulfonic acid, sodium salt, 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[2-(2-cyclohexylphenoxy)phenyl]azo]-4-hydroxy-, disodium salt
| Molecular Formula | C35H29N3Na2O9S2 |
|---|---|
| Molecular Weight | 745.11 g/mol |
| LogP | 1.8693 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 745.1141 |
| Heavy Atoms | 51 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 72828-83-2 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC=CC=C2OC3=CC=CC=C3N=NC4=C(C5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C6=CC=CC=C6)O.[Na+].[Na+] |
| InChIKey | KQTYMFGDOQCFRT-UHFFFAOYSA-L |
Product Overview
RefChem:446376 (CAS 72828-83-2), with molecular formula C35H29N3Na2O9S2 and molecular weight 745.11 g/mol. IUPAC: disodium;5-benzamido-3-[[2-(2-cyclohexylphenoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:446376
Property Insights of RefChem:446376
The XLogP value of 1.8693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:446376. The TPSA of 214.0 Ų indicates high polarity, suggesting RefChem:446376 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446376 has 2 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:446376?
The CAS number of RefChem:446376 is 72828-83-2.
What is the molecular formula of RefChem:446376?
The molecular formula of RefChem:446376 is C35H29N3Na2O9S2.
What is the molecular weight of RefChem:446376?
The molecular weight of RefChem:446376 is 745.11 g/mol.
Where can I buy RefChem:446376?
You can request a quote for RefChem:446376 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446376?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446376 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.