RefChem:565644
TL;DR: RefChem:565644 (CAS 47834-75-3) is a chemical compound with molecular formula C27H22N6O8S and molecular weight 590.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzoic acid
Also Known As: Benzoic acid, 2-hydroxy-5-[[4-[[[[2-methoxy-4-[(3-sulfophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-, 2-hydroxy-5-((4-(3-(2-methoxy-4-((3-sulfophenyl)diazenyl)phenyl)ureido)phenyl)diazenyl)benzoic acid, 5-((4-((((2-Methoxy-4-((3-sulphophenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)salicylic acid, Benzoic acid, 2-hydroxy-5-((4-((((2-methoxy-4-((3-sulfophenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-, Benzoic acid, 2-hydroxy-5-(2-(4-((((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-
| Molecular Formula | C27H22N6O8S |
|---|---|
| Molecular Weight | 590.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 590.122 |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 47834-75-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)NC(=O)NC3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)O |
| InChIKey | QLPXEVTZQMICLN-UHFFFAOYSA-N |
Product Overview
RefChem:565644 (CAS 47834-75-3), with molecular formula C27H22N6O8S and molecular weight 590.12 g/mol. IUPAC: 2-hydroxy-5-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzoic acid.
Chemical Property Profile of RefChem:565644
Property Insights of RefChem:565644
The XLogP value of 4.5 indicates that RefChem:565644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 220.0 Ų indicates high polarity, suggesting RefChem:565644 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:565644 has 5 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:565644?
The CAS number of RefChem:565644 is 47834-75-3.
What is the molecular formula of RefChem:565644?
The molecular formula of RefChem:565644 is C27H22N6O8S.
What is the molecular weight of RefChem:565644?
The molecular weight of RefChem:565644 is 590.12 g/mol.
Where can I buy RefChem:565644?
You can request a quote for RefChem:565644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.