RefChem:416313
TL;DR: RefChem:416313 (CAS 30831-72-2) is a chemical compound with molecular formula C37H28Cl2N12Na4O14S4 and molecular weight 1153.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;2-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]ethylamino]-6-chloro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
Also Known As: 2-(2,5-dimethoxy-4-methylphenyl)ethanamine hydrochloride, p-Benzenedisulfonic acid, 2-((4-((2-((4-(3-((4-amino-3-sulfo-1-anthraquinonyl)amino)-2,4,6-trimethyl-5-sulfoanilino)-6-chloro-s-triazin-2-yl)amino)ethyl)amino)-6-chloro-s-triazin-2-yl)amino)-, tetrasodium salt, 1,4-Benzenedisulfonic acid, 2-((4-((2-((4-((3-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:4), 1,4-Benzenedisulfonic acid, 2-[[4-[[2-[[4-[[3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-, tetrasodium salt, tetrasodium 2-({4-[(2-{[4-({3-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]-2,4,6-trimethyl-5-sulfonatophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}ethyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)benzene-1,4-disulfonate
| Molecular Formula | C37H28Cl2N12Na4O14S4 |
|---|---|
| Molecular Weight | 1153.97 g/mol |
| LogP | -8.96654 |
| Topological Polar Surface Area | 460.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 11 |
| Exact Mass | 1153.9698 |
| Heavy Atoms | 73 |
| Complexity | 2260.0 |
Chemical Identifiers
| CAS Number | 30831-72-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)NCCNC3=NC(=NC(=N3)Cl)NC4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-])C)NC5=CC(=C(C6=C5C(=O)C7=CC=CC=C7C6=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | GOHLKFRZIBKBRU-UHFFFAOYSA-J |
Product Overview
RefChem:416313 (CAS 30831-72-2), with molecular formula C37H28Cl2N12Na4O14S4 and molecular weight 1153.97 g/mol. IUPAC: tetrasodium;2-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]ethylamino]-6-chloro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate.
Chemical Property Profile of RefChem:416313
Property Insights of RefChem:416313
The XLogP value of -8.96654 indicates that RefChem:416313 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 460.0 Ų indicates high polarity, suggesting RefChem:416313 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:416313 has 6 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:416313?
The CAS number of RefChem:416313 is 30831-72-2.
What is the molecular formula of RefChem:416313?
The molecular formula of RefChem:416313 is C37H28Cl2N12Na4O14S4.
What is the molecular weight of RefChem:416313?
The molecular weight of RefChem:416313 is 1153.97 g/mol.
Where can I buy RefChem:416313?
You can request a quote for RefChem:416313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:416313?
Yes, KEHONG BIO provides custom synthesis services for RefChem:416313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.