RefChem:412734
TL;DR: RefChem:412734 (CAS 75199-17-6) is a chemical compound with molecular formula C43H30Cl2N18Na6O21S6 and molecular weight 1533.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexasodium;7-[[2-(carbamoylamino)-4-[[4-[[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonatonaphthalen-2-yl)diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-hydroxypropyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
Also Known As: 1,3,6-Naphthalenetrisulfonic acid, 7,7'-[(2-hydroxy-1,3-propanediyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis-, hexasodium salt, Methyl L-2-chloropropionate;Propanoic acid, 2-chloro-, methyl ester, L-, 1,3,6-Naphthalenetrisulfonic acid, 7,7'-((2-hydroxy-1,3-propanediyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:6), 1,3,6-Naphthalenetrisulfonic acid, 7,7'-((2-hydroxy-1,3-propanediyl)bis(imino)bis(6-chloro-s-triazine-4,2-diyl)bis(imino)bis(3-((aminocarbonyl)amino)-4,1-phenylene)bis(azo)bis-, hexasodium salt, 1,3,6-Naphthalenetrisulfonic acid, 7,7'-[(2-hydroxy-1,3-propanediyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis-, sodium salt (1:6)
| Molecular Formula | C43H30Cl2N18Na6O21S6 |
|---|---|
| Molecular Weight | 1533.89 g/mol |
| LogP | -14.6975 |
| Topological Polar Surface Area | 699.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 16 |
| Exact Mass | 1533.8921 |
| Heavy Atoms | 96 |
| Complexity | 3000.0 |
Chemical Identifiers
| CAS Number | 75199-17-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCC(CNC3=NC(=NC(=N3)Cl)NC4=CC(=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)O)Cl)NC(=O)N)N=NC7=CC8=C(C=C(C=C8C=C7S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | HEVSJAAQDPFOEQ-UHFFFAOYSA-H |
Product Overview
RefChem:412734 (CAS 75199-17-6), with molecular formula C43H30Cl2N18Na6O21S6 and molecular weight 1533.89 g/mol. IUPAC: hexasodium;7-[[2-(carbamoylamino)-4-[[4-[[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonatonaphthalen-2-yl)diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-hydroxypropyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate.
Chemical Property Profile of RefChem:412734
Property Insights of RefChem:412734
The XLogP value of -14.6975 indicates that RefChem:412734 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 699.0 Ų indicates high polarity, suggesting RefChem:412734 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:412734 has 9 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:412734?
The CAS number of RefChem:412734 is 75199-17-6.
What is the molecular formula of RefChem:412734?
The molecular formula of RefChem:412734 is C43H30Cl2N18Na6O21S6.
What is the molecular weight of RefChem:412734?
The molecular weight of RefChem:412734 is 1533.89 g/mol.
Where can I buy RefChem:412734?
You can request a quote for RefChem:412734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:412734?
Yes, KEHONG BIO provides custom synthesis services for RefChem:412734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.