RefChem:117856
TL;DR: RefChem:117856 (CAS 106424-71-9) is a chemical compound with molecular formula C42H20Cl2N12Na2O10S2 and molecular weight 1032.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-[18-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-sulfonatophenyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 3,3'-(1,2,3,8,9,10-hexahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)bis(6-((4-amino-6-chloro-s-triazin-2-yl)amino)-, disodium salt, Benzenesulfonic acid, 3,3'-(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)bis(6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2), Benzenesulfonic acid, 3,3'-(1,2,3,8,9,10-hexahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)bis[6-[(4-amino-6-chloro-s-triazin-2-yl)amino]-, disodium salt, Benzenesulfonic acid, 3,3'-(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)bis(6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-, disodium salt, Benzenesulfonic acid, 3,3'-(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)bis[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-, sodium salt (1:2)
| Molecular Formula | C42H20Cl2N12Na2O10S2 |
|---|---|
| Molecular Weight | 1032.00 g/mol |
| LogP | -0.517 |
| Topological Polar Surface Area | 359.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 6 |
| Exact Mass | 1032.0039 |
| Heavy Atoms | 70 |
| Complexity | 2020.0 |
Chemical Identifiers
| CAS Number | 106424-71-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=C(C=C9)NC1=NC(=NC(=N1)N)Cl)S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-])NC1=NC(=NC(=N1)N)Cl.[Na+].[Na+] |
| InChIKey | PWIJAJCXCYJOMB-UHFFFAOYSA-L |
Product Overview
RefChem:117856 (CAS 106424-71-9), with molecular formula C42H20Cl2N12Na2O10S2 and molecular weight 1032.00 g/mol. IUPAC: disodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-[18-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-sulfonatophenyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]benzenesulfonate.
Chemical Property Profile of RefChem:117856
Property Insights of RefChem:117856
The XLogP value of -0.517 indicates that RefChem:117856 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 359.0 Ų indicates high polarity, suggesting RefChem:117856 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117856 has 4 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117856?
The CAS number of RefChem:117856 is 106424-71-9.
What is the molecular formula of RefChem:117856?
The molecular formula of RefChem:117856 is C42H20Cl2N12Na2O10S2.
What is the molecular weight of RefChem:117856?
The molecular weight of RefChem:117856 is 1032.00 g/mol.
Where can I buy RefChem:117856?
You can request a quote for RefChem:117856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117856?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.