RefChem:565745
TL;DR: RefChem:565745 (CAS 41011-48-7) is a chemical compound with molecular formula C27H16N2Na2O10S2 and molecular weight 638.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]phenoxy]sulfonylbenzoate
Also Known As: disodium3-[[4-[ amino]phenoxy]sulphonyl]benzoate, Benzoic acid, 3-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]-, disodium salt, 2-Anthraquinone sulfonic acid, 1-amino-4-(4-((3-carboxyphenyl)sulfonyloxy)phenylamino)-, disodium salt, Benzoic acid, 3-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenoxy)sulfonyl)-, disodium salt, Benzoic acid, 3-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenoxy)sulfonyl)-, sodium salt (1:2)
| Molecular Formula | C27H16N2Na2O10S2 |
|---|---|
| Molecular Weight | 638.00 g/mol |
| LogP | -4.1689 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 638.00415 |
| Heavy Atoms | 43 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 41011-48-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)C(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+] |
| InChIKey | ZVQOYLSDWMLQIW-UHFFFAOYSA-L |
Product Overview
RefChem:565745 (CAS 41011-48-7), with molecular formula C27H16N2Na2O10S2 and molecular weight 638.00 g/mol. IUPAC: disodium;3-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]phenoxy]sulfonylbenzoate.
Chemical Property Profile of RefChem:565745
Property Insights of RefChem:565745
The XLogP value of -4.1689 indicates that RefChem:565745 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 230.0 Ų indicates high polarity, suggesting RefChem:565745 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:565745 has 2 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:565745?
The CAS number of RefChem:565745 is 41011-48-7.
What is the molecular formula of RefChem:565745?
The molecular formula of RefChem:565745 is C27H16N2Na2O10S2.
What is the molecular weight of RefChem:565745?
The molecular weight of RefChem:565745 is 638.00 g/mol.
Where can I buy RefChem:565745?
You can request a quote for RefChem:565745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565745?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.