RefChem:465279
TL;DR: RefChem:465279 (CAS 71873-44-4) is a chemical compound with molecular formula C44H27N6Na3O15S3 and molecular weight 1044.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;1-amino-4-[4-[[(E)-4-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2-sulfonatoanilino]-4-oxobut-2-enoyl]amino]anilino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: EINECS 276-120-4, 2-Anthracenesulfonic acid, 1-amino-4-((4-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)amino)-1,4-dioxo-2-butenyl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((4-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)amino)-1,4-dioxo-2-buten-1-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3), 2-Anthracenesulfonic acid, 1-amino-4-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]amino]-1,4-dioxo-2-butenyl]amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt, 1-Amino-4-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]amino]-1,4-dioxo-2-buten-1-yl]amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium (1:3)
| Molecular Formula | C44H27N6Na3O15S3 |
|---|---|
| Molecular Weight | 1044.04 g/mol |
| LogP | -5.2533 |
| Topological Polar Surface Area | 374.18 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 1044.039 |
| Heavy Atoms | 71 |
| Complexity | 3703.9102 |
Chemical Identifiers
| CAS Number | 71873-44-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)NC(=O)/C=C/C(=O)NC5=C(C=C(C=C5)NC6=CC(=C(C7=C6C(=O)C8=CC=CC=C8C7=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+] |
Product Overview
RefChem:465279 (CAS 71873-44-4), with molecular formula C44H27N6Na3O15S3 and molecular weight 1044.04 g/mol. IUPAC: trisodium;1-amino-4-[4-[[(E)-4-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2-sulfonatoanilino]-4-oxobut-2-enoyl]amino]anilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:465279
Property Insights of RefChem:465279
The XLogP value of -5.2533 indicates that RefChem:465279 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 374.18 Ų indicates high polarity, suggesting RefChem:465279 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465279 has 6 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 RefChem:465279?
The CAS number of RefChem:465279 is 71873-44-4.
What is the molecular formula of RefChem:465279?
The molecular formula of RefChem:465279 is C44H27N6Na3O15S3.
What is the molecular weight of RefChem:465279?
The molecular weight of RefChem:465279 is 1044.04 g/mol.
Where can I buy RefChem:465279?
You can request a quote for RefChem:465279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465279?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.