RefChem:565816
TL;DR: RefChem:565816 (CAS 72906-34-4) is a chemical compound with molecular formula C51H68N10O21S2 and molecular weight 1220.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-[[6-[(4-carboxyphenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid;tetrakis(2-(2-hydroxyethylamino)ethanol)
Also Known As: 4,4'-Ureylenebis((1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2-azo)dibenzoic acid, diethanolamine salt (1:4), Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, compd. with 2,2'-iminobis(ethanol) (1:4), Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo))bis-, compd. with 2,2'-iminobis(ethanol) (1:4), Benzoic acid, 4,4'-[carbonylbis[imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, compd. with 2,2'-iminobis[ethanol] (1:4), 4,4'-(Carbonylbis(imino(1-hydroxynaphthalene-6,2-diyl-3-sulpho)azo))bisbenzoic acid, compound with 2,2'-iminobis(ethanol) (1:4)
| Molecular Formula | C51H68N10O21S2 |
|---|---|
| Molecular Weight | 1220.40 g/mol |
| LogP | 2.0112 |
| Topological Polar Surface Area | 541.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 26 |
| Exact Mass | 1220.4001 |
| Heavy Atoms | 84 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 72906-34-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C=C6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O.C(CO)NCCO.C(CO)NCCO.C(CO)NCCO.C(CO)NCCO |
| InChIKey | QMRHMJGMFDCWMK-UHFFFAOYSA-N |
Product Overview
RefChem:565816 (CAS 72906-34-4), with molecular formula C51H68N10O21S2 and molecular weight 1220.40 g/mol. IUPAC: 4-[[6-[[6-[(4-carboxyphenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid;tetrakis(2-(2-hydroxyethylamino)ethanol).
Chemical Property Profile of RefChem:565816
Property Insights of RefChem:565816
The XLogP value of 2.0112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:565816. The TPSA of 541.0 Ų indicates high polarity, suggesting RefChem:565816 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:565816 has 20 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:565816?
The CAS number of RefChem:565816 is 72906-34-4.
What is the molecular formula of RefChem:565816?
The molecular formula of RefChem:565816 is C51H68N10O21S2.
What is the molecular weight of RefChem:565816?
The molecular weight of RefChem:565816 is 1220.40 g/mol.
Where can I buy RefChem:565816?
You can request a quote for RefChem:565816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.