Anthrasol Grey ITR
TL;DR: Anthrasol Grey ITR (CAS 27033-69-8) is a chemical compound with molecular formula C45H22N2Na4O17S4 and molecular weight 1081.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;[24-[(9,10-disulfonatooxyanthracen-1-yl)amino]-27-oxo-6-sulfonatooxy-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1(31),2(15),3,5,7,9,11,13,17,19,21(26),22,24,28(32),29-pentadecaen-13-yl] sulfate
Also Known As: Anthrasol Grey ITR, 1-Trityl-1H-benzoimidazole, tetrasodium 3-{[9,10-bis(sulfonatooxy)anthracen-1-yl]amino}-5-oxo-5,16-dihydroanthra[2,1,9-mna]naphtho[2,3-h]acridine-10,15-diyl disulfate, Anthra(2,1,9-mna)naphth(2,3-h)acridin-5(16H)-one, 3-((9,10-bis(sulfooxy)-1-anthracenyl)amino)-10,15-bis(sulfooxy)-, sodium salt (1:4), Anthra(2,1,9-mna)naphth(2,3-h)acridin-5(16H)-one, 3-((9,10-bis(sulfooxy)-1-anthracenyl)amino)-10,15-bis(sulfooxy)-, tetrasodium salt
| Molecular Formula | C45H22N2Na4O17S4 |
|---|---|
| Molecular Weight | 1081.94 g/mol |
| LogP | -4.6929 |
| Topological Polar Surface Area | 340.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 6 |
| Exact Mass | 1081.9392 |
| Heavy Atoms | 72 |
| Complexity | 2320.0 |
Chemical Identifiers
| CAS Number | 27033-69-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=C(C3=C2OS(=O)(=O)[O-])NC4=CC5=C(C=C4)C6=CC=C7C8=C(C=CC(=C68)C5=O)C9=C(N7)C1=C(C2=CC=CC=C2C(=C1C=C9)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | LORDDQXYUWODCJ-UHFFFAOYSA-J |
Product Overview
Anthrasol Grey ITR (CAS 27033-69-8), with molecular formula C45H22N2Na4O17S4 and molecular weight 1081.94 g/mol. IUPAC: tetrasodium;[24-[(9,10-disulfonatooxyanthracen-1-yl)amino]-27-oxo-6-sulfonatooxy-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1(31),2(15),3,5,7,9,11,13,17,19,21(26),22,24,28(32),29-pentadecaen-13-yl] sulfate.
Chemical Property Profile of Anthrasol Grey ITR
Property Insights of Anthrasol Grey ITR
The XLogP value of -4.6929 indicates that Anthrasol Grey ITR is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 340.0 Ų indicates high polarity, suggesting Anthrasol Grey ITR may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anthrasol Grey ITR has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anthrasol Grey ITR?
The CAS number of Anthrasol Grey ITR is 27033-69-8.
What is the molecular formula of Anthrasol Grey ITR?
The molecular formula of Anthrasol Grey ITR is C45H22N2Na4O17S4.
What is the molecular weight of Anthrasol Grey ITR?
The molecular weight of Anthrasol Grey ITR is 1081.94 g/mol.
Where can I buy Anthrasol Grey ITR?
You can request a quote for Anthrasol Grey ITR directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthrasol Grey ITR?
Yes, KEHONG BIO provides custom synthesis services for Anthrasol Grey ITR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.