RefChem:465278
TL;DR: RefChem:465278 (CAS 85536-89-6) is a chemical compound with molecular formula C30H22ClN3Na2O11S3 and molecular weight 776.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-amino-4-[4-[[3-(2-chloroethylsulfonyl)benzoyl]-methylamino]-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-((4-((3-((2-chloroethyl)sulfonyl)benzoyl)methylamino)-2-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((4-((3-((2-chloroethyl)sulfonyl)benzoyl)methylamino)-2-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:?), 2-Anthracenesulfonic acid, 1-amino-4-[[4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]methylamino]-2-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt, 5-bromo-2-(2-tert-butylamino-1-hydroxyethyl)-7-ethylbenzofuran, 1-Amino-4-((4-((3-((2-chloroethyl)sulphonyl)benzoyl)methylamino)-2-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonicacid, sodium salt
| Molecular Formula | C30H22ClN3Na2O11S3 |
|---|---|
| Molecular Weight | 776.99 g/mol |
| LogP | -3.1069 |
| Topological Polar Surface Area | 266.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 776.99005 |
| Heavy Atoms | 50 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 85536-89-6 |
|---|---|
| SMILES | CN(C1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C5=CC(=CC=C5)S(=O)(=O)CCCl.[Na+].[Na+] |
| InChIKey | UGUZURVSPLYQQJ-UHFFFAOYSA-L |
Product Overview
RefChem:465278 (CAS 85536-89-6), with molecular formula C30H22ClN3Na2O11S3 and molecular weight 776.99 g/mol. IUPAC: disodium;1-amino-4-[4-[[3-(2-chloroethylsulfonyl)benzoyl]-methylamino]-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:465278
Property Insights of RefChem:465278
The XLogP value of -3.1069 indicates that RefChem:465278 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.0 Ų indicates high polarity, suggesting RefChem:465278 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465278 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:465278?
The CAS number of RefChem:465278 is 85536-89-6.
What is the molecular formula of RefChem:465278?
The molecular formula of RefChem:465278 is C30H22ClN3Na2O11S3.
What is the molecular weight of RefChem:465278?
The molecular weight of RefChem:465278 is 776.99 g/mol.
Where can I buy RefChem:465278?
You can request a quote for RefChem:465278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465278?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.